Calcium 2,5-dimethyl-3,4-dithioxoadipate

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Details

Stereochemistry	MIXED
Molecular Formula	C8H8O4S2.Ca
Molecular Weight	272.355
Optical Activity	UNSPECIFIED
Defined Stereocenters	0 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Calcium 2,5-dimethyl-3,4-dithioxoadipate

Structure Search

SMILES

[Ca++].CC(C([O-])=O)C(=S)C(=S)C(C)C([O-])=O

InChI

InChIKey=ADRVTASORWAZLS-UHFFFAOYSA-L

InChI=1S/C8H10O4S2.Ca/c1-3(7(9)10)5(13)6(14)4(2)8(11)12;/h3-4H,1-2H3,(H,9,10)(H,11,12);/q;+2/p-2

HIDE SMILES / InChI

Molecular Formula	Ca
Molecular Weight	40.078
Charge	2
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C8H8O4S2
Molecular Weight	232.277
Charge	-2
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	0 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 21:21:04 GMT 2025` Edited by `admin` on `Wed Apr 02 21:21:04 GMT 2025`
Record UNII	DS3FNV7T7C
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Calcium 2,5-dimethyl-3,4-bis(sulfanylidene)hexanedioate

Preferred Name

English

Calcium 2,5-dimethyl-3,4-dithioxoadipate

Systematic Name

English

Hexanedioic acid,2,5-dimethyl-3,4-dithioxo-,calcium salt (1:1)

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID10918102

Created by admin on Wed Apr 02 21:21:04 GMT 2025 , Edited by admin on Wed Apr 02 21:21:04 GMT 2025

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ECHA (EC/EINECS)

298-004-2

Created by admin on Wed Apr 02 21:21:04 GMT 2025 , Edited by admin on Wed Apr 02 21:21:04 GMT 2025

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FDA UNII

DS3FNV7T7C

Created by admin on Wed Apr 02 21:21:04 GMT 2025 , Edited by admin on Wed Apr 02 21:21:04 GMT 2025

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PUBCHEM

3022272

Created by admin on Wed Apr 02 21:21:04 GMT 2025 , Edited by admin on Wed Apr 02 21:21:04 GMT 2025

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CAS

93776-78-4

Created by admin on Wed Apr 02 21:21:04 GMT 2025 , Edited by admin on Wed Apr 02 21:21:04 GMT 2025

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Related Record Type Details


					KG56DS45H6

2,5-Dimethyl-3,4-dithioxoadipic acid

PARENT -> SALT/SOLVATE

Amount: