3-(4,5-Dihydro-5-imino-3-methyl-1H-pyrazol-1-yl)benzenesulfonic acid

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Details

Stereochemistry	ACHIRAL
Molecular Formula	C10H11N3O3S
Molecular Weight	253.278
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-(4,5-Dihydro-5-imino-3-methyl-1H-pyrazol-1-yl)benzenesulfonic acid

Structure Search

SMILES

CC1=NN(C(=N)C1)C2=CC=CC(=C2)S(O)(=O)=O

InChI

InChIKey=INHXSMASASFALB-UHFFFAOYSA-N

InChI=1S/C10H11N3O3S/c1-7-5-10(11)13(12-7)8-3-2-4-9(6-8)17(14,15)16/h2-4,6,11H,5H2,1H3,(H,14,15,16)

HIDE SMILES / InChI

Molecular Formula	C10H11N3O3S
Molecular Weight	253.278
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 12:24:49 GMT 2023` Edited by `admin` on `Sat Dec 16 12:24:49 GMT 2023`
Record UNII	5GAV2X3U9V
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-(4,5-Dihydro-5-imino-3-methyl-1H-pyrazol-1-yl)benzenesulfonic acid

Systematic Name

English

Benzenesulfonic acid, 3-(4,5-dihydro-5-imino-3-methyl-1H-pyrazol-1-yl)-

Systematic Name

English

Code System Code Type Description

CAS

68083-38-5

Created by admin on Sat Dec 16 12:24:49 GMT 2023 , Edited by admin on Sat Dec 16 12:24:49 GMT 2023

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PUBCHEM

106507

Created by admin on Sat Dec 16 12:24:49 GMT 2023 , Edited by admin on Sat Dec 16 12:24:49 GMT 2023

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EPA CompTox

DTXSID9071056

Created by admin on Sat Dec 16 12:24:49 GMT 2023 , Edited by admin on Sat Dec 16 12:24:49 GMT 2023

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FDA UNII

5GAV2X3U9V

Created by admin on Sat Dec 16 12:24:49 GMT 2023 , Edited by admin on Sat Dec 16 12:24:49 GMT 2023

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ECHA (EC/EINECS)

268-387-0

Created by admin on Sat Dec 16 12:24:49 GMT 2023 , Edited by admin on Sat Dec 16 12:24:49 GMT 2023

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