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Details

Stereochemistry ACHIRAL
Molecular Formula C15H13NS
Molecular Weight 239.335
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 2,2-Diphenylethyl isothiocyanate

SMILES

S=C=NCC(C1=CC=CC=C1)C2=CC=CC=C2

InChI

InChIKey=HCMJWOGOISXSDL-UHFFFAOYSA-N
InChI=1S/C15H13NS/c17-12-16-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15H,11H2

HIDE SMILES / InChI

Molecular Formula C15H13NS
Molecular Weight 239.335
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 Mon Mar 31 19:15:50 GMT 2025
Edited
by admin
on Mon Mar 31 19:15:50 GMT 2025
Record UNII
E5JMT4FNM9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,1?-(2-Isothiocyanatoethylidene)bis[benzene]
Preferred Name English
2,2-Diphenylethyl isothiocyanate
Systematic Name English
Diphenylethyl isothiocyanate, 2,2-
Systematic Name English
Benzene, 1,1?-(2-isothiocyanatoethylidene)bis-
Systematic Name English
Code System Code Type Description
CAS
34634-22-5
Created by admin on Mon Mar 31 19:15:50 GMT 2025 , Edited by admin on Mon Mar 31 19:15:50 GMT 2025
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FDA UNII
E5JMT4FNM9
Created by admin on Mon Mar 31 19:15:50 GMT 2025 , Edited by admin on Mon Mar 31 19:15:50 GMT 2025
PRIMARY
PUBCHEM
154904
Created by admin on Mon Mar 31 19:15:50 GMT 2025 , Edited by admin on Mon Mar 31 19:15:50 GMT 2025
PRIMARY
EPA CompTox
DTXSID30188204
Created by admin on Mon Mar 31 19:15:50 GMT 2025 , Edited by admin on Mon Mar 31 19:15:50 GMT 2025
PRIMARY