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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 5-Chloro-o-tolyl isothiocyanate

SMILES

CC1=CC=C(Cl)C=C1N=C=S

InChI

InChIKey=VDBDGAPNWNWUSA-UHFFFAOYSA-N
InChI=1S/C8H6ClNS/c1-6-2-3-7(9)4-8(6)10-5-11/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 13:05:34 GMT 2023
Edited
by admin
on Sat Dec 16 13:05:34 GMT 2023
Record UNII
FJ2Z26D9ZS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-Chloro-o-tolyl isothiocyanate
Common Name English
4-Chloro-2-isothiocyanato-1-methylbenzene
Systematic Name English
NSC-134677
Code English
Isothiocyanic acid, 5-chloro-o-tolyl ester
Systematic Name English
2-Methyl-5-chlorophenyl isothiocyanate
Systematic Name English
5-Chloro-2-methylphenyl isothiocyanate
Systematic Name English
Benzene, 4-chloro-2-isothiocyanato-1-methyl-
Systematic Name English
Code System Code Type Description
NSC
134677
Created by admin on Sat Dec 16 13:05:34 GMT 2023 , Edited by admin on Sat Dec 16 13:05:34 GMT 2023
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CAS
19241-36-2
Created by admin on Sat Dec 16 13:05:34 GMT 2023 , Edited by admin on Sat Dec 16 13:05:34 GMT 2023
PRIMARY
EPA CompTox
DTXSID00172832
Created by admin on Sat Dec 16 13:05:34 GMT 2023 , Edited by admin on Sat Dec 16 13:05:34 GMT 2023
PRIMARY
PUBCHEM
29519
Created by admin on Sat Dec 16 13:05:34 GMT 2023 , Edited by admin on Sat Dec 16 13:05:34 GMT 2023
PRIMARY
FDA UNII
FJ2Z26D9ZS
Created by admin on Sat Dec 16 13:05:34 GMT 2023 , Edited by admin on Sat Dec 16 13:05:34 GMT 2023
PRIMARY