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Details

Stereochemistry ACHIRAL
Molecular Formula C9H20O2PS2.Na
Molecular Weight 278.347
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Sodium O-pentyl-O'-isobutyl dithiophosphate

SMILES

[Na+].CCCCCOP([S-])(=S)OCC(C)C

InChI

InChIKey=BJRAVLNVAUSAIX-UHFFFAOYSA-M
InChI=1S/C9H21O2PS2.Na/c1-4-5-6-7-10-12(13,14)11-8-9(2)3;/h9H,4-8H2,1-3H3,(H,13,14);/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 C9H20O2PS2
Molecular Weight 255.358
Charge -1
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 Wed Apr 02 12:02:33 GMT 2025
Edited
by admin
on Wed Apr 02 12:02:33 GMT 2025
Record UNII
LB7WFS8HRM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Sodium O-pentyl-O'-isobutyl dithiophosphate
Common Name English
DP1-4327
Preferred Name English
PHOSPHORODITHIOIC ACID, O-(2-METHYLPROPYL) O-PENTYL ESTER, SODIUM SALT
Common Name English
Code System Code Type Description
CAS
142095-53-2
Created by admin on Wed Apr 02 12:02:33 GMT 2025 , Edited by admin on Wed Apr 02 12:02:33 GMT 2025
PRIMARY
FDA UNII
LB7WFS8HRM
Created by admin on Wed Apr 02 12:02:33 GMT 2025 , Edited by admin on Wed Apr 02 12:02:33 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE