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

Details

Stereochemistry ACHIRAL
Molecular Formula 2C12H26O2PS2.Zn
Molecular Weight 660.284
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ZINC BIS(O-ISOOCYL) BIS(O-(SEC-BUTYL)) BIS(DITHIOPHOSPHATE)

SMILES

[Zn++].CCC(C)OP([S-])(=S)OCCCCCC(C)C.CCC(C)OP([S-])(=S)OCCCCCC(C)C

InChI

InChIKey=JFNOTEFMYXBUBK-UHFFFAOYSA-L
InChI=1S/2C12H27O2PS2.Zn/c2*1-5-12(4)14-15(16,17)13-10-8-6-7-9-11(2)3;/h2*11-12H,5-10H2,1-4H3,(H,16,17);/q;;+2/p-2

HIDE SMILES / InChI

Molecular Formula C12H27O2PS2
Molecular Weight 298.445
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Molecular Formula Zn
Molecular Weight 65.409
Charge 2
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 21:52:07 GMT 2025
Edited
by admin
on Mon Mar 31 21:52:07 GMT 2025
Record UNII
WI1WPA600G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
J280.684C
Preferred Name English
ZINC BIS(O-ISOOCYL) BIS(O-(SEC-BUTYL)) BIS(DITHIOPHOSPHATE)
Common Name English
PHOSPHORODITHIOIC ACID, O-(6-METHYLHEPTYL) O-(1-METHYLPROPYL) ESTER, ZINC SALT
Common Name English
ZINC, BIS(O-(6-METHYLHEPTYL) O-(1-METHYLPROPYL) PHOSPHORODITHIOATO-S,S')-, (T-4)-
Systematic Name English
PHOSPHORODITHIOIC ACID, O-(6-METHYLHEPTYL) O-(1-METHYLPROPYL) ESTER, ZINC COMPLEX
Systematic Name English
BIS((6-METHYLHEPTYLOXY(1-METHYLPROPYLOXY)THIOPHOPHINYL)THIO)ZINC
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID80891711
Created by admin on Mon Mar 31 21:52:07 GMT 2025 , Edited by admin on Mon Mar 31 21:52:07 GMT 2025
PRIMARY
FDA UNII
WI1WPA600G
Created by admin on Mon Mar 31 21:52:07 GMT 2025 , Edited by admin on Mon Mar 31 21:52:07 GMT 2025
PRIMARY
ECHA (EC/EINECS)
298-577-9
Created by admin on Mon Mar 31 21:52:07 GMT 2025 , Edited by admin on Mon Mar 31 21:52:07 GMT 2025
PRIMARY
PUBCHEM
22833382
Created by admin on Mon Mar 31 21:52:07 GMT 2025 , Edited by admin on Mon Mar 31 21:52:07 GMT 2025
PRIMARY
CAS
93819-94-4
Created by admin on Mon Mar 31 21:52:07 GMT 2025 , Edited by admin on Mon Mar 31 21:52:07 GMT 2025
PRIMARY