.ALPHA.-BUTYRYLOXYETHYLGLYOXAL DITHIOSEMICARBAZONE

Stereochemistry	RACEMIC
Molecular Formula	C10H18N6O2S2
Molecular Weight	318.419
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	2
Charge	0
Stereo Comments	Assumed racemic. Similar MM2 minimum energy for (E,E), (E,Z), and (Z,Z)

CCCC(=O)OC(C)C(C=NNC(N)=S)=NNC(N)=S

InChIKey=YCULAGAKWJGACJ-UHFFFAOYSA-N

InChI=1S/C10H18N6O2S2/c1-3-4-8(17)18-6(2)7(14-16-10(12)20)5-13-15-9(11)19/h5-6H,3-4H2,1-2H3,(H3,11,15,19)(H3,12,16,20)

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	2
Optical Activity	( + / - )

Substance Class	Chemical Created by `admin` on `Mon Mar 31 17:36:50 GMT 2025` Edited by `admin` on `Mon Mar 31 17:36:50 GMT 2025`
Record UNII	ZI0M8S4A2J
Record Status	`Validated (UNII)`
Record Version

Name

Type

Language

.ALPHA.-BUTYRYLOXYETHYLGLYOXAL DITHIOSEMICARBAZONE

Systematic Name

English

BUTYRIC ACID, ESTER WITH 3-HYDROXY-2-OXOBUTYRALDEHYDE BIS(THIOSEMICARBAZONE)

Preferred Name

English

BUTANOIC ACID, 2,3-BIS((AMINOTHIOXOMETHYL)HYDRAZONO)-1-METHYLPROPYL ESTER

Systematic Name

English

Code System Code Type Description

CAS

2407-55-8

Created by admin on Mon Mar 31 17:36:50 GMT 2025 , Edited by admin on Mon Mar 31 17:36:50 GMT 2025

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PUBCHEM

6399215

Created by admin on Mon Mar 31 17:36:50 GMT 2025 , Edited by admin on Mon Mar 31 17:36:50 GMT 2025

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EPA CompTox

DTXSID60946910

Created by admin on Mon Mar 31 17:36:50 GMT 2025 , Edited by admin on Mon Mar 31 17:36:50 GMT 2025

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FDA UNII

ZI0M8S4A2J

Created by admin on Mon Mar 31 17:36:50 GMT 2025 , Edited by admin on Mon Mar 31 17:36:50 GMT 2025

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