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

Details

Stereochemistry ACHIRAL
Molecular Formula C13H10NO3PS
Molecular Weight 291.262
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Diphenyl phosphoroisothiocyanatidate

SMILES

O=P(OC1=CC=CC=C1)(OC2=CC=CC=C2)N=C=S

InChI

InChIKey=QYGWFFSAYBRMHH-UHFFFAOYSA-N
InChI=1S/C13H10NO3PS/c15-18(14-11-19,16-12-7-3-1-4-8-12)17-13-9-5-2-6-10-13/h1-10H

HIDE SMILES / InChI

Molecular Formula C13H10NO3PS
Molecular Weight 291.262
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 12:17:28 GMT 2023
Edited
by admin
on Sat Dec 16 12:17:28 GMT 2023
Record UNII
JLR79EMU7C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Diphenyl phosphoroisothiocyanatidate
Systematic Name English
Diphenyl (isothiocyanato)phosphate
Systematic Name English
Phosphoroisothiocyanatidic acid, diphenyl ester
Systematic Name English
Phosphor(isothiocyanatidic) acid, diphenyl ester
Systematic Name English
NSC-4756
Code English
Code System Code Type Description
PUBCHEM
79397
Created by admin on Sat Dec 16 12:17:28 GMT 2023 , Edited by admin on Sat Dec 16 12:17:28 GMT 2023
PRIMARY
ECHA (EC/EINECS)
226-447-3
Created by admin on Sat Dec 16 12:17:28 GMT 2023 , Edited by admin on Sat Dec 16 12:17:28 GMT 2023
PRIMARY
FDA UNII
JLR79EMU7C
Created by admin on Sat Dec 16 12:17:28 GMT 2023 , Edited by admin on Sat Dec 16 12:17:28 GMT 2023
PRIMARY
NSC
4756
Created by admin on Sat Dec 16 12:17:28 GMT 2023 , Edited by admin on Sat Dec 16 12:17:28 GMT 2023
PRIMARY
EPA CompTox
DTXSID8063838
Created by admin on Sat Dec 16 12:17:28 GMT 2023 , Edited by admin on Sat Dec 16 12:17:28 GMT 2023
PRIMARY
CAS
5401-14-9
Created by admin on Sat Dec 16 12:17:28 GMT 2023 , Edited by admin on Sat Dec 16 12:17:28 GMT 2023
PRIMARY