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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 3,4-Dichlorophenyl isothiocyanate

SMILES

ClC1=CC=C(C=C1Cl)N=C=S

InChI

InChIKey=OSBIEFWIIINTNJ-UHFFFAOYSA-N
InChI=1S/C7H3Cl2NS/c8-6-2-1-5(10-4-11)3-7(6)9/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 Sat Dec 16 12:21:41 GMT 2023
Edited
by admin
on Sat Dec 16 12:21:41 GMT 2023
Record UNII
L58BMT3A78
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,4-Dichlorophenyl isothiocyanate
Systematic Name English
3,4-Dichloro-1-isothiocyanatobenzene
Systematic Name English
NSC-220236
Code English
Isothiocyanic acid, 3,4-dichlorophenyl ester
Systematic Name English
Benzene, 1,2-dichloro-4-isothiocyanato-
Systematic Name English
1,2-Dichloro-4-isothiocyanatobenzene
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID10216115
Created by admin on Sat Dec 16 12:21:41 GMT 2023 , Edited by admin on Sat Dec 16 12:21:41 GMT 2023
PRIMARY
ECHA (EC/EINECS)
229-526-0
Created by admin on Sat Dec 16 12:21:41 GMT 2023 , Edited by admin on Sat Dec 16 12:21:41 GMT 2023
PRIMARY
PUBCHEM
23065
Created by admin on Sat Dec 16 12:21:41 GMT 2023 , Edited by admin on Sat Dec 16 12:21:41 GMT 2023
PRIMARY
FDA UNII
L58BMT3A78
Created by admin on Sat Dec 16 12:21:41 GMT 2023 , Edited by admin on Sat Dec 16 12:21:41 GMT 2023
PRIMARY
NSC
220236
Created by admin on Sat Dec 16 12:21:41 GMT 2023 , Edited by admin on Sat Dec 16 12:21:41 GMT 2023
PRIMARY
CAS
6590-94-9
Created by admin on Sat Dec 16 12:21:41 GMT 2023 , Edited by admin on Sat Dec 16 12:21:41 GMT 2023
PRIMARY