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

Details

Stereochemistry ACHIRAL
Molecular Formula C12H11NS.ClH
Molecular Weight 237.748
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(Phenylthio)aniline hydrochloride

SMILES

Cl.NC1=CC=CC=C1SC2=CC=CC=C2

InChI

InChIKey=XCFXJRCTEOTOJD-UHFFFAOYSA-N
InChI=1S/C12H11NS.ClH/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10;/h1-9H,13H2;1H

HIDE SMILES / InChI

Molecular Formula C12H11NS
Molecular Weight 201.287
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 19:35:18 GMT 2025
Edited
by admin
on Wed Apr 02 19:35:18 GMT 2025
Record UNII
4327GMK9V6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(Phenylthio)aniline hydrochloride
Systematic Name English
NSC-633006
Preferred Name English
2-(Phenylsulfanyl)aniline hydrochloride
Systematic Name English
Aniline, o-(phenylthio)-, hydrochloride
Systematic Name English
Benzenamine, 2-(phenylthio)-, hydrochloride
Systematic Name English
Benzenamine, 2-(phenylthio)-, hydrochloride (1:1)
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID10987010
Created by admin on Wed Apr 02 19:35:18 GMT 2025 , Edited by admin on Wed Apr 02 19:35:18 GMT 2025
PRIMARY
CAS
6764-13-2
Created by admin on Wed Apr 02 19:35:18 GMT 2025 , Edited by admin on Wed Apr 02 19:35:18 GMT 2025
PRIMARY
FDA UNII
4327GMK9V6
Created by admin on Wed Apr 02 19:35:18 GMT 2025 , Edited by admin on Wed Apr 02 19:35:18 GMT 2025
PRIMARY
PUBCHEM
365392
Created by admin on Wed Apr 02 19:35:18 GMT 2025 , Edited by admin on Wed Apr 02 19:35:18 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE