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

Details

Stereochemistry ACHIRAL
Molecular Formula C9H20ClO2PS2
Molecular Weight 290.811
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of O,O-Diisobutyl S-chloromethyl dithiophosphate

SMILES

CC(C)COP(=S)(OCC(C)C)SCCl

InChI

InChIKey=ZZPVSXOHHSGWMY-UHFFFAOYSA-N
InChI=1S/C9H20ClO2PS2/c1-8(2)5-11-13(14,15-7-10)12-6-9(3)4/h8-9H,5-7H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C9H20ClO2PS2
Molecular Weight 290.811
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 Mon Mar 31 21:45:09 GMT 2025
Edited
by admin
on Mon Mar 31 21:45:09 GMT 2025
Record UNII
S9BP25K4JF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
O,O-Diisobutyl-S-chloromethyldithiophosphate
Preferred Name English
O,O-Diisobutyl S-chloromethyl dithiophosphate
Common Name English
S-(Chloromethyl) O,O-bis(2-methylpropyl) phosphorodithioate
Systematic Name English
Phosphorodithioic acid, S-(chloromethyl) O,O-bis(2-methylpropyl) ester
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID60990377
Created by admin on Mon Mar 31 21:45:09 GMT 2025 , Edited by admin on Mon Mar 31 21:45:09 GMT 2025
PRIMARY
CAS
70140-82-8
Created by admin on Mon Mar 31 21:45:09 GMT 2025 , Edited by admin on Mon Mar 31 21:45:09 GMT 2025
PRIMARY
FDA UNII
S9BP25K4JF
Created by admin on Mon Mar 31 21:45:09 GMT 2025 , Edited by admin on Mon Mar 31 21:45:09 GMT 2025
PRIMARY
PUBCHEM
135467
Created by admin on Mon Mar 31 21:45:09 GMT 2025 , Edited by admin on Mon Mar 31 21:45:09 GMT 2025
PRIMARY