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

Details

Stereochemistry ACHIRAL
Molecular Formula C10H22O2PS2.Na
Molecular Weight 292.374
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Sodium O,O?-diisoamyldithiophosphate

SMILES

[Na+].CC(C)CCOP([S-])(=S)OCCC(C)C

InChI

InChIKey=XXCCIECCJZSNGT-UHFFFAOYSA-M
InChI=1S/C10H23O2PS2.Na/c1-9(2)5-7-11-13(14,15)12-8-6-10(3)4;/h9-10H,5-8H2,1-4H3,(H,14,15);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.98976928
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C10H23O2PS2
Molecular Weight 270.392
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 18:23:24 GMT 2025
Edited
by admin
on Tue Apr 01 18:23:24 GMT 2025
Record UNII
EHV329L8XU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-Butanol, 3-methyl-, hydrogen phosphorodithioate, sodium salt
Preferred Name English
Sodium O,O?-diisoamyldithiophosphate
Systematic Name English
1-Butanol, 3-methyl-, 1-(hydrogen phosphorodithioate), sodium salt
Common Name English
1-Butanol, 3-methyl-, 1-(hydrogen phosphorodithioate), sodium salt (1:1)
Systematic Name English
Code System Code Type Description
CAS
58237-07-3
Created by admin on Tue Apr 01 18:23:24 GMT 2025 , Edited by admin on Tue Apr 01 18:23:24 GMT 2025
PRIMARY
PUBCHEM
93994
Created by admin on Tue Apr 01 18:23:24 GMT 2025 , Edited by admin on Tue Apr 01 18:23:24 GMT 2025
PRIMARY
FDA UNII
EHV329L8XU
Created by admin on Tue Apr 01 18:23:24 GMT 2025 , Edited by admin on Tue Apr 01 18:23:24 GMT 2025
PRIMARY
EPA CompTox
DTXSID7069237
Created by admin on Tue Apr 01 18:23:24 GMT 2025 , Edited by admin on Tue Apr 01 18:23:24 GMT 2025
PRIMARY
ECHA (EC/EINECS)
261-176-4
Created by admin on Tue Apr 01 18:23:24 GMT 2025 , Edited by admin on Tue Apr 01 18:23:24 GMT 2025
PRIMARY