METHYL 5-AMINO-3-(NITROMETHYLENE)-3H-1,2-DITHIOLE-4-CARBOXYLATE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C6H6N2O4S2
Molecular Weight	234.253
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of METHYL 5-AMINO-3-(NITROMETHYLENE)-3H-1,2-DITHIOLE-4-CARBOXYLATE

Structure Search

SMILES

COC(=O)C1=C(N)SS\C1=C\[N+]([O-])=O

InChI

InChIKey=IAWCIGLAQKOOTG-NSCUHMNNSA-N

InChI=1S/C6H6N2O4S2/c1-12-6(9)4-3(2-8(10)11)13-14-5(4)7/h2H,7H2,1H3/b3-2+

HIDE SMILES / InChI

Molecular Formula	C6H6N2O4S2
Molecular Weight	234.253
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 19:45:25 GMT 2025` Edited by `admin` on `Tue Apr 01 19:45:25 GMT 2025`
Record UNII	S547AJK25S
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-358287

Preferred Name

English

METHYL 5-AMINO-3-(NITROMETHYLENE)-3H-1,2-DITHIOLE-4-CARBOXYLATE

Systematic Name

English

3H-1,2-DITHIOLE-4-CARBOXYLIC ACID, 5-AMINO-3-(NITROMETHYLENE)-, METHYL ESTER

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID70897121

Created by admin on Tue Apr 01 19:45:25 GMT 2025 , Edited by admin on Tue Apr 01 19:45:25 GMT 2025

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CAS

78649-93-1

Created by admin on Tue Apr 01 19:45:25 GMT 2025 , Edited by admin on Tue Apr 01 19:45:25 GMT 2025

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FDA UNII

S547AJK25S

Created by admin on Tue Apr 01 19:45:25 GMT 2025 , Edited by admin on Tue Apr 01 19:45:25 GMT 2025

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NSC

358287

Created by admin on Tue Apr 01 19:45:25 GMT 2025 , Edited by admin on Tue Apr 01 19:45:25 GMT 2025

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PUBCHEM

54607704

Created by admin on Tue Apr 01 19:45:25 GMT 2025 , Edited by admin on Tue Apr 01 19:45:25 GMT 2025

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