1-(2-(ETHYLTHIO)ETHYL)-2-METHYL-5-NITRO-1H-IMIDAZOLE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H13N3O2S
Molecular Weight	215.273
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1-(2-(ETHYLTHIO)ETHYL)-2-METHYL-5-NITRO-1H-IMIDAZOLE

Structure Search

SMILES

CCSCCN1C(C)=NC=C1[N+]([O-])=O

InChI

InChIKey=MFRJPLQSIRTHSZ-UHFFFAOYSA-N

InChI=1S/C8H13N3O2S/c1-3-14-5-4-10-7(2)9-6-8(10)11(12)13/h6H,3-5H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C8H13N3O2S
Molecular Weight	215.273
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 `Sat Dec 16 12:13:47 GMT 2023` Edited by `admin` on `Sat Dec 16 12:13:47 GMT 2023`
Record UNII	W333Y9BQ8L
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1-(2-(ETHYLTHIO)ETHYL)-2-METHYL-5-NITRO-1H-IMIDAZOLE

Systematic Name

English

1H-IMIDAZOLE, 1-(2-(ETHYLTHIO)ETHYL)-2-METHYL-5-NITRO-

Systematic Name

English

Code System Code Type Description

PUBCHEM

120052

Created by admin on Sat Dec 16 12:13:47 GMT 2023 , Edited by admin on Sat Dec 16 12:13:47 GMT 2023

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CAS

28795-33-7

Created by admin on Sat Dec 16 12:13:47 GMT 2023 , Edited by admin on Sat Dec 16 12:13:47 GMT 2023

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EPA CompTox

DTXSID40182975

Created by admin on Sat Dec 16 12:13:47 GMT 2023 , Edited by admin on Sat Dec 16 12:13:47 GMT 2023

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ECHA (EC/EINECS)

249-226-3

Created by admin on Sat Dec 16 12:13:47 GMT 2023 , Edited by admin on Sat Dec 16 12:13:47 GMT 2023

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FDA UNII

W333Y9BQ8L

Created by admin on Sat Dec 16 12:13:47 GMT 2023 , Edited by admin on Sat Dec 16 12:13:47 GMT 2023

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