3-METHYL-2-BENZOTHIAZOLONE HYDRAZONE HYDROCHLORIDE MONOHYDRATE

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H9N3S.ClH.H2O
Molecular Weight	233.718
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 3-METHYL-2-BENZOTHIAZOLONE HYDRAZONE HYDROCHLORIDE MONOHYDRATE

Structure Search

SMILES

O.Cl.CN1\C(SC2=C1C=CC=C2)=N\N

InChI

InChIKey=IYXXQOGEFHAQGU-GPWRMYTLSA-N

InChI=1S/C8H9N3S.ClH.H2O/c1-11-6-4-2-3-5-7(6)12-8(11)10-9;;/h2-5H,9H2,1H3;1H;1H2/b10-8-;;

HIDE SMILES / InChI

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

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

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

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

Molecular Formula	C8H9N3S
Molecular Weight	179.242
Charge	0
Count

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

Approval Year

Patents

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 20:32:06 GMT 2025` Edited by `admin` on `Mon Mar 31 20:32:06 GMT 2025`
Record UNII	3CHJ2TTY78
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

2(3H)-BENZOTHIAZOLONE, 3-METHYL-, HYDRAZONE, HYDROCHLORIDE, HYDRATE (1:1:1), (2Z)-

Preferred Name

English

3-METHYL-2-BENZOTHIAZOLONE HYDRAZONE HYDROCHLORIDE MONOHYDRATE

Systematic Name

English

2(3H)-BENZOTHIAZOLONE, 3-METHYL-, HYDRAZONE, MONOHYDROCHLORIDE, MONOHYDRATE, (2Z)-

Systematic Name

English

Code System Code Type Description

CAS

850736-31-1

Created by admin on Mon Mar 31 20:32:06 GMT 2025 , Edited by admin on Mon Mar 31 20:32:06 GMT 2025

PRIMARY

FDA UNII

3CHJ2TTY78

Created by admin on Mon Mar 31 20:32:06 GMT 2025 , Edited by admin on Mon Mar 31 20:32:06 GMT 2025

PRIMARY

CAS

149022-15-1

Created by admin on Mon Mar 31 20:32:06 GMT 2025 , Edited by admin on Mon Mar 31 20:32:06 GMT 2025

NON-SPECIFIC STOICHIOMETRY

CAS

38894-11-0

Created by admin on Mon Mar 31 20:32:06 GMT 2025 , Edited by admin on Mon Mar 31 20:32:06 GMT 2025

NON-SPECIFIC STEREOCHEMISTRY

PUBCHEM

6364530

Created by admin on Mon Mar 31 20:32:06 GMT 2025 , Edited by admin on Mon Mar 31 20:32:06 GMT 2025

PRIMARY

Related Record Type Details


					9U2C4W7EPR

3-METHYL-2-BENZOTHIAZOLONE HYDRAZONE HYDROCHLORIDE

ANHYDROUS->SOLVATE


					OZ2685O88C

3-METHYL-2-BENZOTHIAZOLONE HYDRAZONE

PARENT -> SALT/SOLVATE