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Details

Stereochemistry ACHIRAL
Molecular Formula C7H8S
Molecular Weight 124.203
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of O-TOLUENETHIOL

SMILES

CC1=CC=CC=C1S

InChI

InChIKey=LXUNZSDDXMPKLP-UHFFFAOYSA-N
InChI=1S/C7H8S/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3

HIDE SMILES / InChI

Molecular Formula C7H8S
Molecular Weight 124.203
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Characterisation of sulphoxides by atmospheric pressure ionisation mass spectrometry.
2005
Extending synthetic access to proteins with a removable acyl transfer auxiliary.
2002-05-01
New paeonilactone-A adducts formed by anaerobic incubation of paeoniflorin with Lactobacillus brevis in the presence of arylthiols.
2001-07
Phenylthiyl radical complexes of gallium(III), iron(III), and cobalt(III) and comparison with their phenoxyl analogues.
2001-06-27
Patents
Substance Class Chemical
Created
by admin
on Mon Mar 31 19:14:54 GMT 2025
Edited
by admin
on Mon Mar 31 19:14:54 GMT 2025
Record UNII
6FU2EGI4VS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-THIOCRESOL
HSDB  
Preferred Name English
O-TOLUENETHIOL
Common Name English
O-METHYLBENZENETHIOL
Common Name English
BENZENETHIOL, 2-METHYL-
Systematic Name English
2-METHYLTHIOPHENOL [FHFI]
Common Name English
2-TOLUENETHIOL
Systematic Name English
TOLUENE, 2-MERCAPTO-
Systematic Name English
O-TOLYL MERCAPTAN
Common Name English
O-METHYLTHIOPHENOL
Common Name English
TOLUENE-2-THIOL
Systematic Name English
FEMA NO. 3240
Code English
NSC-80655
Code English
TOLYLMERCAPTAN, O-
Common Name English
TOLYLTHIOL, O-
Common Name English
2-METHYLBENZENETHIOL
Systematic Name English
2-METHYLPHENYLTHIOL
Common Name English
O-THIOCRESOL
MI  
Common Name English
O-MERCAPTOTOLUENE
Common Name English
2-THIOCRESOL [HSDB]
Common Name English
O-THIOCRESOL [MI]
Common Name English
Classification Tree Code System Code
JECFA EVALUATION O-TOLUENETHIOL
Created by admin on Mon Mar 31 19:14:54 GMT 2025 , Edited by admin on Mon Mar 31 19:14:54 GMT 2025
Code System Code Type Description
MERCK INDEX
m10748
Created by admin on Mon Mar 31 19:14:54 GMT 2025 , Edited by admin on Mon Mar 31 19:14:54 GMT 2025
PRIMARY Merck Index
ECHA (EC/EINECS)
205-276-8
Created by admin on Mon Mar 31 19:14:54 GMT 2025 , Edited by admin on Mon Mar 31 19:14:54 GMT 2025
PRIMARY
HSDB
2022
Created by admin on Mon Mar 31 19:14:54 GMT 2025 , Edited by admin on Mon Mar 31 19:14:54 GMT 2025
PRIMARY
EPA CompTox
DTXSID8047135
Created by admin on Mon Mar 31 19:14:54 GMT 2025 , Edited by admin on Mon Mar 31 19:14:54 GMT 2025
PRIMARY
CAS
137-06-4
Created by admin on Mon Mar 31 19:14:54 GMT 2025 , Edited by admin on Mon Mar 31 19:14:54 GMT 2025
PRIMARY
FDA UNII
6FU2EGI4VS
Created by admin on Mon Mar 31 19:14:54 GMT 2025 , Edited by admin on Mon Mar 31 19:14:54 GMT 2025
PRIMARY
PUBCHEM
8712
Created by admin on Mon Mar 31 19:14:54 GMT 2025 , Edited by admin on Mon Mar 31 19:14:54 GMT 2025
PRIMARY
JECFA MONOGRAPH
134
Created by admin on Mon Mar 31 19:14:54 GMT 2025 , Edited by admin on Mon Mar 31 19:14:54 GMT 2025
PRIMARY
NSC
80655
Created by admin on Mon Mar 31 19:14:54 GMT 2025 , Edited by admin on Mon Mar 31 19:14:54 GMT 2025
PRIMARY