U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C4H6N2S.ClH
Molecular Weight 150.63
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-Methylisothiazol-5-amine hydrochloride

SMILES

Cl.CC1=NSC(N)=C1

InChI

InChIKey=ZRTGHKVPFXNDHE-UHFFFAOYSA-N
InChI=1S/C4H6N2S.ClH/c1-3-2-4(5)7-6-3;/h2H,5H2,1H3;1H

HIDE SMILES / InChI
Molecular Formula C4H6N2S
Molecular Weight 114.169
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE
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

Approval Year

Unknown
139594
Substance Class Chemical
Created
by admin
on Fri Dec 15 17:15:21 GMT 2023
Edited
by admin
on Fri Dec 15 17:15:21 GMT 2023
Record UNII
H2NFR7BJQ3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-Methylisothiazol-5-amine hydrochloride
Systematic Name English
3-Methyl-5-aminoisothiazole hydrochloride
Systematic Name English
5-Amino-3-methylisothiazole monohydrochloride
Systematic Name English
5-Isothiazolamine, 3-methyl-, hydrochloride (1:1)
Systematic Name English
5-Amino-3-methylisothiazole hydrochloride
Systematic Name English
3-methyl-1,2-thiazol-5-amine hydrochloride
Systematic Name English
5-Isothiazolamine, 3-methyl-, monohydrochloride
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
257-997-2
Created by admin on Fri Dec 15 17:15:21 GMT 2023 , Edited by admin on Fri Dec 15 17:15:21 GMT 2023
PRIMARY
FDA UNII
H2NFR7BJQ3
Created by admin on Fri Dec 15 17:15:21 GMT 2023 , Edited by admin on Fri Dec 15 17:15:21 GMT 2023
PRIMARY
PUBCHEM
2723918
Created by admin on Fri Dec 15 17:15:21 GMT 2023 , Edited by admin on Fri Dec 15 17:15:21 GMT 2023
PRIMARY
CAS
52547-00-9
Created by admin on Fri Dec 15 17:15:21 GMT 2023 , Edited by admin on Fri Dec 15 17:15:21 GMT 2023
PRIMARY
EPA CompTox
DTXSID60966976
Created by admin on Fri Dec 15 17:15:21 GMT 2023 , Edited by admin on Fri Dec 15 17:15:21 GMT 2023
PRIMARY
Related Record Type Details
Structure of 3-Methylisothiazol-5-amine
PARENT -> SALT/SOLVATE
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966