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

Details

Stereochemistry ACHIRAL
Molecular Formula C8H6ClNS
Molecular Weight 183.658
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 3-CHLORO-4-METHYLPHENYL ISOTHIOCYANATE

SMILES

CC1=C(Cl)C=C(C=C1)N=C=S

InChI

InChIKey=PQLHTYDGCDDPNU-UHFFFAOYSA-N
InChI=1S/C8H6ClNS/c1-6-2-3-7(10-5-11)4-8(6)9/h2-4H,1H3

HIDE SMILES / InChI

Molecular Formula C8H6ClNS
Molecular Weight 183.658
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:41:06 GMT 2023
Edited
by admin
on Sat Dec 16 12:41:06 GMT 2023
Record UNII
G42J6H4VSJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-CHLORO-4-METHYLPHENYL ISOTHIOCYANATE
Systematic Name English
3-CHLORO-P-TOLYL ISOTHIOCYANATE
Systematic Name English
BENZENE, 2-CHLORO-4-ISOTHIOCYANATO-1-METHYL-
Systematic Name English
2-CHLORO-4-ISOTHIOCYANATO-1-METHYLBENZENE
Systematic Name English
NSC-135813
Code English
Code System Code Type Description
CAS
19241-37-3
Created by admin on Sat Dec 16 12:41:06 GMT 2023 , Edited by admin on Sat Dec 16 12:41:06 GMT 2023
PRIMARY
NSC
135813
Created by admin on Sat Dec 16 12:41:06 GMT 2023 , Edited by admin on Sat Dec 16 12:41:06 GMT 2023
PRIMARY
PUBCHEM
140505
Created by admin on Sat Dec 16 12:41:06 GMT 2023 , Edited by admin on Sat Dec 16 12:41:06 GMT 2023
PRIMARY
EPA CompTox
DTXSID60172833
Created by admin on Sat Dec 16 12:41:06 GMT 2023 , Edited by admin on Sat Dec 16 12:41:06 GMT 2023
PRIMARY
FDA UNII
G42J6H4VSJ
Created by admin on Sat Dec 16 12:41:06 GMT 2023 , Edited by admin on Sat Dec 16 12:41:06 GMT 2023
PRIMARY