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

Details

Stereochemistry ACHIRAL
Molecular Formula C13H21O4PS
Molecular Weight 304.342
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PROPAPHOS

SMILES

CCCOP(=O)(OCCC)OC1=CC=C(SC)C=C1

InChI

InChIKey=PWYIUEFFPNVCMW-UHFFFAOYSA-N
InChI=1S/C13H21O4PS/c1-4-10-15-18(14,16-11-5-2)17-12-6-8-13(19-3)9-7-12/h6-9H,4-5,10-11H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C13H21O4PS
Molecular Weight 304.342
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Comparative study of human and mouse pregnane X receptor agonistic activity in 200 pesticides using in vitro reporter gene assays.
2011 Feb 27
Patents

Patents

Substance Class Chemical
Created
by admin
on Fri Dec 15 19:10:12 GMT 2023
Edited
by admin
on Fri Dec 15 19:10:12 GMT 2023
Record UNII
0U4CU57BYP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PROPAPHOS
HSDB   ISO  
Common Name English
PROPAPHOS [HSDB]
Common Name English
4-(METHYLTHIO)PHENYL DIPROPYL PHOSPHATE
Systematic Name English
PROPAPHOS [ISO]
Common Name English
Code System Code Type Description
PUBCHEM
23717
Created by admin on Fri Dec 15 19:10:12 GMT 2023 , Edited by admin on Fri Dec 15 19:10:12 GMT 2023
PRIMARY
HSDB
7134
Created by admin on Fri Dec 15 19:10:12 GMT 2023 , Edited by admin on Fri Dec 15 19:10:12 GMT 2023
PRIMARY
ALANWOOD
propaphos
Created by admin on Fri Dec 15 19:10:12 GMT 2023 , Edited by admin on Fri Dec 15 19:10:12 GMT 2023
PRIMARY
EPA CompTox
DTXSID2058172
Created by admin on Fri Dec 15 19:10:12 GMT 2023 , Edited by admin on Fri Dec 15 19:10:12 GMT 2023
PRIMARY
FDA UNII
0U4CU57BYP
Created by admin on Fri Dec 15 19:10:12 GMT 2023 , Edited by admin on Fri Dec 15 19:10:12 GMT 2023
PRIMARY
CAS
7292-16-2
Created by admin on Fri Dec 15 19:10:12 GMT 2023 , Edited by admin on Fri Dec 15 19:10:12 GMT 2023
PRIMARY