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 0
Charge 0

SHOW SMILES / InChI
Structure of P-DIMETHYLAMINOPHENYL THIOCYANATE

SMILES

CN(C)C1=CC=C(SC#N)C=C1

InChI

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

HIDE SMILES / InChI

Molecular Formula C9H10N2S
Molecular Weight 178.254
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
JIU79N2HFW
Record Status Validated (UNII)
Record Version