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

Details

Stereochemistry RACEMIC
Molecular Formula C8H10S
Molecular Weight 138.23
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-PHENYLETHANETHIOL

SMILES

CC(S)C1=CC=CC=C1

InChI

InChIKey=QZZBJCFNHPYNKO-UHFFFAOYSA-N
InChI=1S/C8H10S/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3

HIDE SMILES / InChI

Molecular Formula C8H10S
Molecular Weight 138.23
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 20:54:17 UTC 2023
Edited
by admin
on Fri Dec 15 20:54:17 UTC 2023
Record UNII
62EE7Q6MB0
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-PHENYLETHANETHIOL
Systematic Name English
(±)-1-PHENYLETHYLMERCAPTAN
FHFI  
Systematic Name English
FEMA NO. 4061
Code English
BENZENEMETHANETHIOL, .ALPHA.-METHYL-
Systematic Name English
.ALPHA.-METHYLBENZENEMETHANETHIOL
Systematic Name English
.ALPHA.-METHYL-.ALPHA.-TOLUENETHIOL
Systematic Name English
.ALPHA.-METHYLBENZYL THIOL
Systematic Name English
ETHANETHIOL, 1-PHENYL-
Systematic Name English
1-PHENYLETHYLMERCAPTAN, (±)-
Systematic Name English
.ALPHA.-TOLUENETHIOL, .ALPHA.-METHYL-
Systematic Name English
(±)-1-PHENYLETHYLMERCAPTAN [FHFI]
Common Name English
NSC-66561
Code English
Classification Tree Code System Code
JECFA EVALUATION (+/-)-1-PHENYLETHYLMERCAPTAN
Created by admin on Fri Dec 15 20:54:17 UTC 2023 , Edited by admin on Fri Dec 15 20:54:17 UTC 2023
Code System Code Type Description
NSC
66561
Created by admin on Fri Dec 15 20:54:17 UTC 2023 , Edited by admin on Fri Dec 15 20:54:17 UTC 2023
PRIMARY
MESH
C106744
Created by admin on Fri Dec 15 20:54:17 UTC 2023 , Edited by admin on Fri Dec 15 20:54:17 UTC 2023
PRIMARY
PUBCHEM
141850
Created by admin on Fri Dec 15 20:54:17 UTC 2023 , Edited by admin on Fri Dec 15 20:54:17 UTC 2023
PRIMARY
CAS
6263-65-6
Created by admin on Fri Dec 15 20:54:17 UTC 2023 , Edited by admin on Fri Dec 15 20:54:17 UTC 2023
PRIMARY
EPA CompTox
DTXSID60863734
Created by admin on Fri Dec 15 20:54:17 UTC 2023 , Edited by admin on Fri Dec 15 20:54:17 UTC 2023
PRIMARY
JECFA MONOGRAPH
1653
Created by admin on Fri Dec 15 20:54:17 UTC 2023 , Edited by admin on Fri Dec 15 20:54:17 UTC 2023
PRIMARY
FDA UNII
62EE7Q6MB0
Created by admin on Fri Dec 15 20:54:17 UTC 2023 , Edited by admin on Fri Dec 15 20:54:17 UTC 2023
PRIMARY