5-methyl-4-nitro-2,1,3-Benzothiadiazole

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H5N3O2S
Molecular Weight	195.199
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 5-methyl-4-nitro-2,1,3-Benzothiadiazole

Structure Search

SMILES

CC1=C(C2=NSN=C2C=C1)[N+]([O-])=O

InChI

InChIKey=SMOABKKWZUJQDS-UHFFFAOYSA-N

InChI=1S/C7H5N3O2S/c1-4-2-3-5-6(9-13-8-5)7(4)10(11)12/h2-3H,1H3

HIDE SMILES / InChI

Molecular Formula	C7H5N3O2S
Molecular Weight	195.199
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 12:55:33 GMT 2023` Edited by `admin` on `Sat Dec 16 12:55:33 GMT 2023`
Record UNII	J2L27VW6DP
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

5-methyl-4-nitro-2,1,3-Benzothiadiazole

Systematic Name

English

2,1,3-Benzothiadiazole, 5-methyl-4-nitro-

Systematic Name

English

NSC-202573

Code

English

Code System Code Type Description

PUBCHEM

305559

Created by admin on Sat Dec 16 12:55:33 GMT 2023 , Edited by admin on Sat Dec 16 12:55:33 GMT 2023

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CAS

3152-87-2

Created by admin on Sat Dec 16 12:55:33 GMT 2023 , Edited by admin on Sat Dec 16 12:55:33 GMT 2023

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EPA CompTox

DTXSID30185415

Created by admin on Sat Dec 16 12:55:33 GMT 2023 , Edited by admin on Sat Dec 16 12:55:33 GMT 2023

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NSC

202573

Created by admin on Sat Dec 16 12:55:33 GMT 2023 , Edited by admin on Sat Dec 16 12:55:33 GMT 2023

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FDA UNII

J2L27VW6DP

Created by admin on Sat Dec 16 12:55:33 GMT 2023 , Edited by admin on Sat Dec 16 12:55:33 GMT 2023

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