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

Details

Stereochemistry ACHIRAL
Molecular Formula C3H7O4S.Na
Molecular Weight 162.14
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Sodium propyl sulfate

SMILES

[Na+].CCCOS([O-])(=O)=O

InChI

InChIKey=CEHCOJSZSZWUIG-UHFFFAOYSA-M
InChI=1S/C3H8O4S.Na/c1-2-3-7-8(4,5)6;/h2-3H2,1H3,(H,4,5,6);/q;+1/p-1

HIDE SMILES / InChI

Approval Year

Name Type Language
Sodium propyl sulfate
Common Name English
1-Propyl sulfate sodium
Preferred Name English
Propyl sodium sulfate
Common Name English
Sulfuric acid, monopropyl ester, sodium salt (1:1)
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID0061377
Created by admin on Tue Apr 01 19:04:32 GMT 2025 , Edited by admin on Tue Apr 01 19:04:32 GMT 2025
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CAS
1000-56-2
Created by admin on Tue Apr 01 19:04:32 GMT 2025 , Edited by admin on Tue Apr 01 19:04:32 GMT 2025
PRIMARY
FDA UNII
66QQ45B4T9
Created by admin on Tue Apr 01 19:04:32 GMT 2025 , Edited by admin on Tue Apr 01 19:04:32 GMT 2025
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ECHA (EC/EINECS)
213-671-1
Created by admin on Tue Apr 01 19:04:32 GMT 2025 , Edited by admin on Tue Apr 01 19:04:32 GMT 2025
PRIMARY
PUBCHEM
23677965
Created by admin on Tue Apr 01 19:04:32 GMT 2025 , Edited by admin on Tue Apr 01 19:04:32 GMT 2025
PRIMARY