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Details

Stereochemistry ACHIRAL
Molecular Formula C7H3Cl2NS
Molecular Weight 204.076
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 2,4-Dichlorophenyl isothiocyanate

SMILES

ClC1=CC=C(N=C=S)C(Cl)=C1

InChI

InChIKey=WVBNZZHGECFCSH-UHFFFAOYSA-N
InChI=1S/C7H3Cl2NS/c8-5-1-2-7(10-4-11)6(9)3-5/h1-3H

HIDE SMILES / InChI

Molecular Formula C7H3Cl2NS
Molecular Weight 204.076
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 Tue Apr 01 19:15:50 GMT 2025
Edited
by admin
on Tue Apr 01 19:15:50 GMT 2025
Record UNII
MRT5Y7B5A6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,4-Dichlorophenyl isothiocyanate
Systematic Name English
2,4-Dichloro-1-isothiocyanatobenzene
Preferred Name English
af-100
Code English
Benzene, 2,4-dichloro-1-isothiocyanato-
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
229-527-6
Created by admin on Tue Apr 01 19:15:50 GMT 2025 , Edited by admin on Tue Apr 01 19:15:50 GMT 2025
PRIMARY
CAS
6590-96-1
Created by admin on Tue Apr 01 19:15:50 GMT 2025 , Edited by admin on Tue Apr 01 19:15:50 GMT 2025
PRIMARY
EPA CompTox
DTXSID30216117
Created by admin on Tue Apr 01 19:15:50 GMT 2025 , Edited by admin on Tue Apr 01 19:15:50 GMT 2025
PRIMARY
PUBCHEM
81066
Created by admin on Tue Apr 01 19:15:50 GMT 2025 , Edited by admin on Tue Apr 01 19:15:50 GMT 2025
PRIMARY
FDA UNII
MRT5Y7B5A6
Created by admin on Tue Apr 01 19:15:50 GMT 2025 , Edited by admin on Tue Apr 01 19:15:50 GMT 2025
PRIMARY