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Details

Stereochemistry ACHIRAL
Molecular Formula C6H5S.Na
Molecular Weight 132.159
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SODIUM BENZENETHIOLATE

SMILES

[Na+].[S-]C1=CC=CC=C1

InChI

InChIKey=RZWQDAUIUBVCDD-UHFFFAOYSA-M
InChI=1S/C6H6S.Na/c7-6-4-2-1-3-5-6;/h1-5,7H;/q;+1/p-1

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
Molecular Formula Na
Molecular Weight 22.98976928
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
149124
PubMed

PubMed

TitleDatePubMed
Development of capillary column packed with thiol-modified gold-coated polystyrene particles and its selectivity for aromatic compounds.
2006-03-31
Small-molecule and mutational analysis of allosteric Eg5 inhibition by monastrol.
2006-02-27
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).
2006-02-21
Novel fabrication of Ag thin film on glass for efficient surface-enhanced Raman scattering.
2006-02-14
Friction of mixed and single-component aromatic monolayers in contacts of different adhesive strength.
2006-02-09
Oxorhenium(V) and oxotechnetium(V) [NN][S]3 complexes of 2-phenylbenzothiazole derivatives.
2006-01-23
Proton- and redox-controlled switching of photo- and electrochemiluminescence in thiophenyl-substituted boron-dipyrromethene dyes.
2006-01-11
Radical reduction of aromatic azides to amines with tributylgermanium hydride.
2006-01-06
Convergent synthesis of 10 nm aryleneethynylene molecular wires by an iterative regioselective deprotection/Sonogashira coupling protocol.
2006-01-06
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.
2005-12
One-electron reduction potential for oxygen- and sulfur-centered organic radicals in protic and aprotic solvents.
2005-11-16
Mixture toxicity of reactive chemicals by using two bacterial growth assays as indicators of protein and DNA damage.
2005-11-15
Off-line direct deposition gas chromatography/surface-enhanced Raman scattering and the ramifications for on-line measurements.
2005-11
The application of phenylmethanethiol and benzenethiol derivatives as odorless organosulfur reagents in the synthesis of thiosugars and thioglycosides.
2005-10-31
Reaction of 2H-azirine phosphine oxide and -phosphonates with nucleophiles. Stereoselective Synthesis of functionalized aziridines and alpha- and beta-aminophosphorus derivatives.
2005-10-28
Sugar-derived 2-S-substituted-2H-pyran-3(6H)-ones: synthesis and reactivity.
2005-09-26
Highly diastereoselective formation of spirocyclic compounds via 1,5-hydrogen transfer: a total synthesis of (-)-erythrodiene.
2005-09-15
Analysis of the nitrogen mustard mechlorethamine in topical pharmaceutical preparations by high-performance liquid chromatography.
2005-09-02
First direct observation of reversible oxygen addition to a carotenoid-derived carbon-centered neutral radical.
2005-09-01
Glutathione peroxidase (GPx)-like antioxidant activity of the organoselenium drug ebselen: unexpected complications with thiol exchange reactions.
2005-08-17
Inhibition of human cytochrome P450 2E1 by halogenated anilines, phenols, and thiophenols.
2005-07
1,2-Thio group migration in Rh(II) carbene reactions.
2005-05-13
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.
2005-04-15
Thiolate coordination to Fe(II)-porphyrin NO centers.
2005-04
Effects of the intramolecular NH...S hydrogen bond in mononuclear platinum(II) and palladium(II) complexes with 2,2'-bipyridine and benzenethiol derivatives.
2005-03-21
Asymmetric organotellurides as potent antioxidants and building blocks of protein conjugates.
2005-03-21
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.
2005-03-01
Role of sulfur compounds in the detection of amino acids by ninhydrin on TLC plate.
2005-02
Hybridization-promoted and cytidine-selective activation for cross-linking with the use of 2-amino-6-vinylpurine derivatives.
2005-01-07
Coaxing a pyridine nucleus to give up its aromaticity: synthesis and pharmacological characterization of novel conformationally restricted analogues of nicotine and anabasine.
2004-12-30
Tip-enhanced Raman spectroscopy of benzenethiol adsorbed on Au and Pt single-crystal surfaces.
2004-12-17
Halogen-substituted thiophenol molecules on Cu(111).
2004-12-07
[Study of the factors effecting surface-enhanced Raman scattering reporter-labeled immunogold colloids].
2004-12
Vanadium-catalyzed sulfenylation of indoles and 2-naphthols with thiols under molecular oxygen.
2004-10-29
Alpha- and beta-thujone radical rearrangements and isomerizations. A new radical clock.
2004-08-20
Thiophenol-mediated hydrogen atom abstraction: an efficient tin-free procedure for the preparation of cyclopentane derivatives.
2004-07-22
DNA display III. Solid-phase organic synthesis on unprotected DNA.
2004-07
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.
2004-06-16
NMR analysis of surfaces and interfaces in 2-nm CdSe.
2004-06-09
Scanning tunneling microscopy of sulfur and benzenethiol chemisorbed on Ru(0001) in 0.1 M HClO4.
2004-05-25
2-nitro thioglycoside donors: versatile precursors of beta-D-glycosides of aminosugars.
2004-05-13
Fluorometric assay protocol for protease-catalyzed transesterification reactions in organic solvents.
2004-04-16
Density functional theory investigation of benzenethiol adsorption on Au(111).
2004-04-08
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.
2004-04
Optimized conjugation of a fluorescent label to proteins via intein-mediated activation and ligation.
2004-03-18
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.
2004-03-16
The diazo ketone approach to the isoprostanes.
2004-03
Tributylgermanium hydride as a replacement for tributyltin hydride in radical reactions.
2004-02-21
Peptidyl thiophenols as substrates for nonribosomal peptide cyclases.
2004-01-16
Re-identification and characterization of pathogens causing ugurassa (Flacourtia inermis) fruit anthracnose.
2004-01
Patents

Patents

03950376
2
03972886
7
04012499
4
04093626
2
04096264
5
04103015
2
JP1009971A
2
JP1024863A
2
JP1050865A
2
JP2000095895A
2
JP2000186071A
2
JP2000256307A
2
JP2000256364A
2
JP2001228609A
2
JP2001302615A
2
JP2001322984A
2
JP2002116541A
2
JP2002224243A
2
JP2002234864A
2
JP2002371056A
2
JP2003021275A
2
JP2003109763A
2
JP2003503474A
4
JP2003535034A
2
JP2004096040A
2
JP2005504157A
5
JP2005512960A
2
JP2006241092A
2
JP2007029713A
2
JP2009509922A
2
JP2010090124A
2
JP3688201B2
2
JP4726788B2
2
JP4832639B2
2
JP4849477B2
2
JPH01180335A
2
JPH01305063A
2
JPH02209926A
2
JPH0264182A
2
JPH0370774A
2
JPH0423868A
2
JPH04261148A
2
JPH05208971A
3
JPH05322481A
2
JPH06340879A
2
JPH0672995A
2
JPH0710829A
2
JPH07173130A
2
JPH0753500A
2
JPH08134352A
2
JPH08142274A
2
JPH08165431A
2
JPH0841340A
2
JPH09227503A
2
JPH10158359A
2
JPH1017543A
2
JPH111623A
2
Substance Class Chemical
Created
by admin
on Mon Mar 31 19:52:05 GMT 2025
Edited
by admin
on Mon Mar 31 19:52:05 GMT 2025
Record UNII
75GF5O2O8Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SODIUM BENZENETHIOLATE
HSDB  
Systematic Name English
BENZENETHIOL, SODIUM SALT
Preferred Name English
SODIUM BENZENETHIOLATE [HSDB]
Common Name English
SODIUM PHENYLTHIOLATE
Common Name English
BENZENETHIOL, SODIUM SALT (1:1)
Common Name English
SODIUM THIOPHENOXIDE
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
213-224-0
Created by admin on Mon Mar 31 19:52:05 GMT 2025 , Edited by admin on Mon Mar 31 19:52:05 GMT 2025
PRIMARY
FDA UNII
75GF5O2O8Y
Created by admin on Mon Mar 31 19:52:05 GMT 2025 , Edited by admin on Mon Mar 31 19:52:05 GMT 2025
PRIMARY
PUBCHEM
4110039
Created by admin on Mon Mar 31 19:52:05 GMT 2025 , Edited by admin on Mon Mar 31 19:52:05 GMT 2025
PRIMARY
CAS
930-69-8
Created by admin on Mon Mar 31 19:52:05 GMT 2025 , Edited by admin on Mon Mar 31 19:52:05 GMT 2025
PRIMARY
HSDB
5771
Created by admin on Mon Mar 31 19:52:05 GMT 2025 , Edited by admin on Mon Mar 31 19:52:05 GMT 2025
PRIMARY
EPA CompTox
DTXSID1027342
Created by admin on Mon Mar 31 19:52:05 GMT 2025 , Edited by admin on Mon Mar 31 19:52:05 GMT 2025
PRIMARY
Related Record Type Details
Structure of Thiophenol
PARENT -> SALT/SOLVATE
NIH
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