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

Details

Stereochemistry ACHIRAL
Molecular Formula C9H10N2S
Molecular Weight 178.254
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 4-(Dimethylamino)phenyl isothiocyanate

SMILES

CN(C)C1=CC=C(C=C1)N=C=S

InChI

InChIKey=HRDJPEMAGYHSJR-UHFFFAOYSA-N
InChI=1S/C9H10N2S/c1-11(2)9-5-3-8(4-6-9)10-7-12/h3-6H,1-2H3

HIDE SMILES / InChI

Molecular Formula C9H10N2S
Molecular Weight 178.254
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 19:24:29 GMT 2025
Edited
by admin
on Tue Apr 01 19:24:29 GMT 2025
Record UNII
7HG6CE5JMA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(Dimethylamino)phenyl isothiocyanate
Systematic Name English
NSC-196179
Preferred Name English
4-Isothiocyanato-N,N-dimethylaniline
Systematic Name English
4-(N,N-Dimethylamino)phenyl isothiocyanate
Systematic Name English
TL-1106
Code English
p-(Dimethylamino)phenyl isothiocyanate
Systematic Name English
Benzenamine, 4-isothiocyanato-N,N-dimethyl-
Systematic Name English
Isothiocyanic acid, p-dimethylaminophenyl ester
Common Name English
Code System Code Type Description
ECHA (EC/EINECS)
218-360-4
Created by admin on Tue Apr 01 19:24:29 GMT 2025 , Edited by admin on Tue Apr 01 19:24:29 GMT 2025
PRIMARY
EPA CompTox
DTXSID60175581
Created by admin on Tue Apr 01 19:24:29 GMT 2025 , Edited by admin on Tue Apr 01 19:24:29 GMT 2025
PRIMARY
NSC
196179
Created by admin on Tue Apr 01 19:24:29 GMT 2025 , Edited by admin on Tue Apr 01 19:24:29 GMT 2025
PRIMARY
FDA UNII
7HG6CE5JMA
Created by admin on Tue Apr 01 19:24:29 GMT 2025 , Edited by admin on Tue Apr 01 19:24:29 GMT 2025
PRIMARY
CAS
2131-64-8
Created by admin on Tue Apr 01 19:24:29 GMT 2025 , Edited by admin on Tue Apr 01 19:24:29 GMT 2025
PRIMARY
PUBCHEM
75047
Created by admin on Tue Apr 01 19:24:29 GMT 2025 , Edited by admin on Tue Apr 01 19:24:29 GMT 2025
PRIMARY