U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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=C(S)C=CC=C1

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
New paeonilactone-A adducts formed by anaerobic incubation of paeoniflorin with Lactobacillus brevis in the presence of arylthiols.
2001 Jul
Phenylthiyl radical complexes of gallium(III), iron(III), and cobalt(III) and comparison with their phenoxyl analogues.
2001 Jun 27
Extending synthetic access to proteins with a removable acyl transfer auxiliary.
2002 May 1
Characterisation of sulphoxides by atmospheric pressure ionisation mass spectrometry.
2005
Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 18:32:29 GMT 2023
Edited
by admin
on Fri Dec 15 18:32:29 GMT 2023
Record UNII
6FU2EGI4VS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
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
2-THIOCRESOL
HSDB  
Common 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 Fri Dec 15 18:32:29 GMT 2023 , Edited by admin on Fri Dec 15 18:32:29 GMT 2023
Code System Code Type Description
MERCK INDEX
m10748
Created by admin on Fri Dec 15 18:32:29 GMT 2023 , Edited by admin on Fri Dec 15 18:32:29 GMT 2023
PRIMARY Merck Index
ECHA (EC/EINECS)
205-276-8
Created by admin on Fri Dec 15 18:32:29 GMT 2023 , Edited by admin on Fri Dec 15 18:32:29 GMT 2023
PRIMARY
HSDB
2022
Created by admin on Fri Dec 15 18:32:29 GMT 2023 , Edited by admin on Fri Dec 15 18:32:29 GMT 2023
PRIMARY
EPA CompTox
DTXSID8047135
Created by admin on Fri Dec 15 18:32:29 GMT 2023 , Edited by admin on Fri Dec 15 18:32:29 GMT 2023
PRIMARY
CAS
137-06-4
Created by admin on Fri Dec 15 18:32:29 GMT 2023 , Edited by admin on Fri Dec 15 18:32:29 GMT 2023
PRIMARY
FDA UNII
6FU2EGI4VS
Created by admin on Fri Dec 15 18:32:29 GMT 2023 , Edited by admin on Fri Dec 15 18:32:29 GMT 2023
PRIMARY
PUBCHEM
8712
Created by admin on Fri Dec 15 18:32:29 GMT 2023 , Edited by admin on Fri Dec 15 18:32:29 GMT 2023
PRIMARY
JECFA MONOGRAPH
134
Created by admin on Fri Dec 15 18:32:29 GMT 2023 , Edited by admin on Fri Dec 15 18:32:29 GMT 2023
PRIMARY
NSC
80655
Created by admin on Fri Dec 15 18:32:29 GMT 2023 , Edited by admin on Fri Dec 15 18:32:29 GMT 2023
PRIMARY