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Details

Stereochemistry ACHIRAL
Molecular Formula C6H6S
Molecular Weight 110.177
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of THIOPHENOL

SMILES

SC1=CC=CC=C1

InChI

InChIKey=RMVRSNDYEFQCLF-UHFFFAOYSA-N
InChI=1S/C6H6S/c7-6-4-2-1-3-5-6/h1-5,7H

HIDE SMILES / InChI

Molecular Formula C6H6S
Molecular Weight 110.177
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Preparation of dehydro-l-(+)-ascorbic acid dimer by oxidation of ascorbic acid with arsenic acid/iodine and formation of complexes between arsenious acid and ascorbic acid.
2004 Apr
Fluorometric assay protocol for protease-catalyzed transesterification reactions in organic solvents.
2004 Apr 16
Density functional theory investigation of benzenethiol adsorption on Au(111).
2004 Apr 8
Alpha- and beta-thujone radical rearrangements and isomerizations. A new radical clock.
2004 Aug 20
[Study of the factors effecting surface-enhanced Raman scattering reporter-labeled immunogold colloids].
2004 Dec
Tip-enhanced Raman spectroscopy of benzenethiol adsorbed on Au and Pt single-crystal surfaces.
2004 Dec 17
Coaxing a pyridine nucleus to give up its aromaticity: synthesis and pharmacological characterization of novel conformationally restricted analogues of nicotine and anabasine.
2004 Dec 30
Halogen-substituted thiophenol molecules on Cu(111).
2004 Dec 7
Tributylgermanium hydride as a replacement for tributyltin hydride in radical reactions.
2004 Feb 21
Re-identification and characterization of pathogens causing ugurassa (Flacourtia inermis) fruit anthracnose.
2004 Jan
Peptidyl thiophenols as substrates for nonribosomal peptide cyclases.
2004 Jan 16
DNA display III. Solid-phase organic synthesis on unprotected DNA.
2004 Jul
Thiophenol-mediated hydrogen atom abstraction: an efficient tin-free procedure for the preparation of cyclopentane derivatives.
2004 Jul 22
A catalytic synthesis of thiosilanes and silthianes: palladium nanoparticle-mediated cross-coupling of silanes with thio phenyl and thio vinyl ethers through selective carbon-sulfur bond activation.
2004 Jun 16
NMR analysis of surfaces and interfaces in 2-nm CdSe.
2004 Jun 9
The diazo ketone approach to the isoprostanes.
2004 Mar
Chemo- and regioselective peptide cyclization triggered by the N-terminal fatty acid chain length: the recombinant cyclase of the calcium-dependent antibiotic from Streptomyces coelicolor.
2004 Mar 16
Optimized conjugation of a fluorescent label to proteins via intein-mediated activation and ligation.
2004 Mar-Apr
2-nitro thioglycoside donors: versatile precursors of beta-D-glycosides of aminosugars.
2004 May 13
Scanning tunneling microscopy of sulfur and benzenethiol chemisorbed on Ru(0001) in 0.1 M HClO4.
2004 May 25
Vanadium-catalyzed sulfenylation of indoles and 2-naphthols with thiols under molecular oxygen.
2004 Oct 29
Thiolate coordination to Fe(II)-porphyrin NO centers.
2005 Apr
Dependence of reactivity of a novel 2,6-diamino pyridine-based enediyne on the extent of salt formation with external acids: a possible implication in pH based drug design.
2005 Apr 15
Glutathione peroxidase (GPx)-like antioxidant activity of the organoselenium drug ebselen: unexpected complications with thiol exchange reactions.
2005 Aug 17
Drugs that inhibit oxidation reactions catalyzed by aldehyde oxidase do not inhibit the reductive metabolism of ziprasidone to its major metabolite, S-methyldihydroziprasidone: an in vitro study.
2005 Dec
Role of sulfur compounds in the detection of amino acids by ninhydrin on TLC plate.
2005 Feb
Hybridization-promoted and cytidine-selective activation for cross-linking with the use of 2-amino-6-vinylpurine derivatives.
2005 Jan 7
Inhibition of human cytochrome P450 2E1 by halogenated anilines, phenols, and thiophenols.
2005 Jul
The structure, energetics, and nature of the chemical bonding of phenylthiol adsorbed on the Au(111) surface: implications for density-functional calculations of molecular-electronic conduction.
2005 Mar 1
Effects of the intramolecular NH...S hydrogen bond in mononuclear platinum(II) and palladium(II) complexes with 2,2'-bipyridine and benzenethiol derivatives.
2005 Mar 21
Asymmetric organotellurides as potent antioxidants and building blocks of protein conjugates.
2005 Mar 21
1,2-Thio group migration in Rh(II) carbene reactions.
2005 May 13
Off-line direct deposition gas chromatography/surface-enhanced Raman scattering and the ramifications for on-line measurements.
2005 Nov
Mixture toxicity of reactive chemicals by using two bacterial growth assays as indicators of protein and DNA damage.
2005 Nov 15
One-electron reduction potential for oxygen- and sulfur-centered organic radicals in protic and aprotic solvents.
2005 Nov 16
Reaction of 2H-azirine phosphine oxide and -phosphonates with nucleophiles. Stereoselective Synthesis of functionalized aziridines and alpha- and beta-aminophosphorus derivatives.
2005 Oct 28
The application of phenylmethanethiol and benzenethiol derivatives as odorless organosulfur reagents in the synthesis of thiosugars and thioglycosides.
2005 Oct 31
First direct observation of reversible oxygen addition to a carotenoid-derived carbon-centered neutral radical.
2005 Sep 1
Highly diastereoselective formation of spirocyclic compounds via 1,5-hydrogen transfer: a total synthesis of (-)-erythrodiene.
2005 Sep 15
Analysis of the nitrogen mustard mechlorethamine in topical pharmaceutical preparations by high-performance liquid chromatography.
2005 Sep 2
Sugar-derived 2-S-substituted-2H-pyran-3(6H)-ones: synthesis and reactivity.
2005 Sep 26
Novel fabrication of Ag thin film on glass for efficient surface-enhanced Raman scattering.
2006 Feb 14
Co-complexes of ortho-dilithiated thiophenol or 2-trimethylsilylthiophenol with lithiated TMEDA molecules: synthesis, crystal structures and theoretical studies (TMEDA = N,N,N',N'-tetramethylethylenediamine).
2006 Feb 21
Small-molecule and mutational analysis of allosteric Eg5 inhibition by monastrol.
2006 Feb 27
Friction of mixed and single-component aromatic monolayers in contacts of different adhesive strength.
2006 Feb 9
Proton- and redox-controlled switching of photo- and electrochemiluminescence in thiophenyl-substituted boron-dipyrromethene dyes.
2006 Jan 11
Oxorhenium(V) and oxotechnetium(V) [NN][S]3 complexes of 2-phenylbenzothiazole derivatives.
2006 Jan 23
Radical reduction of aromatic azides to amines with tributylgermanium hydride.
2006 Jan 6
Convergent synthesis of 10 nm aryleneethynylene molecular wires by an iterative regioselective deprotection/Sonogashira coupling protocol.
2006 Jan 6
Development of capillary column packed with thiol-modified gold-coated polystyrene particles and its selectivity for aromatic compounds.
2006 Mar 31
Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 18:14:29 GMT 2023
Edited
by admin
on Fri Dec 15 18:14:29 GMT 2023
Record UNII
7K011JR4T0
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
THIOPHENOL
HSDB   MI  
Systematic Name English
PHENYL MERCAPTAN
Systematic Name English
PHENOL, THIO-
Systematic Name English
MERCAPTOBENZENE
Systematic Name English
PHENYLTHIOL
Common Name English
THIOPHENOL [HSDB]
Common Name English
FEMA NO. 3616
Code English
NSC-6953
Code English
BENZENETHIOL [FHFI]
Common Name English
BENZENE, MERCAPTO-
Systematic Name English
THIOPHENOL [MI]
Common Name English
BENZENETHIOL
FHFI  
Systematic Name English
PHENYLMERCAPTAN
Systematic Name English
Classification Tree Code System Code
JECFA EVALUATION BENZENETHIOL
Created by admin on Fri Dec 15 18:14:29 GMT 2023 , Edited by admin on Fri Dec 15 18:14:29 GMT 2023
CFR 21 CFR 172.515
Created by admin on Fri Dec 15 18:14:29 GMT 2023 , Edited by admin on Fri Dec 15 18:14:29 GMT 2023
Code System Code Type Description
HSDB
5387
Created by admin on Fri Dec 15 18:14:29 GMT 2023 , Edited by admin on Fri Dec 15 18:14:29 GMT 2023
PRIMARY
MERCK INDEX
m10778
Created by admin on Fri Dec 15 18:14:29 GMT 2023 , Edited by admin on Fri Dec 15 18:14:29 GMT 2023
PRIMARY Merck Index
PUBCHEM
7969
Created by admin on Fri Dec 15 18:14:29 GMT 2023 , Edited by admin on Fri Dec 15 18:14:29 GMT 2023
PRIMARY
EPA CompTox
DTXSID7026811
Created by admin on Fri Dec 15 18:14:29 GMT 2023 , Edited by admin on Fri Dec 15 18:14:29 GMT 2023
PRIMARY
ECHA (EC/EINECS)
203-635-3
Created by admin on Fri Dec 15 18:14:29 GMT 2023 , Edited by admin on Fri Dec 15 18:14:29 GMT 2023
PRIMARY
WIKIPEDIA
THIOPHENOL
Created by admin on Fri Dec 15 18:14:29 GMT 2023 , Edited by admin on Fri Dec 15 18:14:29 GMT 2023
PRIMARY
CHEBI
48498
Created by admin on Fri Dec 15 18:14:29 GMT 2023 , Edited by admin on Fri Dec 15 18:14:29 GMT 2023
PRIMARY
MESH
C042983
Created by admin on Fri Dec 15 18:14:29 GMT 2023 , Edited by admin on Fri Dec 15 18:14:29 GMT 2023
PRIMARY
JECFA MONOGRAPH
504
Created by admin on Fri Dec 15 18:14:29 GMT 2023 , Edited by admin on Fri Dec 15 18:14:29 GMT 2023
PRIMARY
NSC
6953
Created by admin on Fri Dec 15 18:14:29 GMT 2023 , Edited by admin on Fri Dec 15 18:14:29 GMT 2023
PRIMARY
CAS
108-98-5
Created by admin on Fri Dec 15 18:14:29 GMT 2023 , Edited by admin on Fri Dec 15 18:14:29 GMT 2023
PRIMARY
FDA UNII
7K011JR4T0
Created by admin on Fri Dec 15 18:14:29 GMT 2023 , Edited by admin on Fri Dec 15 18:14:29 GMT 2023
PRIMARY
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