3-Methylisothiazol-5-ylamine hydrochloride

HCID 2723918

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Basic information

CAS: 52547-00-9
Standard SMILES: Cc1cc(N)sn1.Cl
InChIKey: ZRTGHKVPFXNDHE-UHFFFAOYSA-N
Molecular formula: C4H7ClN2S
Average molar mass: 150.63 g/mol
Monoisotopic mass: 150.0018471

Names & identifiers

Preferred name: 3-Methylisothiazol-5-ylamine hydrochloride
IUPAC: 3-methyl-1,2-thiazol-5-amine;hydrochloride
English name: 5-Amino-3-methylisothiazole hydrochloride
Molecular formula: C4H7ClN2S
Molecular weight: 150.63

Names & synonyms

3-Methylisothiazol-5-ylamine hydrochloride5-Isothiazolamine, 3-methyl-, hydrochloride (1:1)RefChem:504269257-997-252547-00-95-Amino-3-methylisothiazole hydrochloride3-methylisothiazol-5-amine hydrochloride5-Amino-3-methyl-isothiazole hydrochloride5-amino-3-methylisothiazole hcl3-methyl-isothiazol-5-ylamine hydrochloride3-methyl-1,2-thiazol-5-amine HydrochlorideMFCD00012716

Show more names

TIMTEC-BB SBB004066LABOTEST-BB LT000807925-AMINO-3-METHYL ISOTHIAZOLE HCLisothiazol-5-aMine (Hydrochloride)5-amino-3-MethylisothozoleHydrochloride3-methyl-5-isothiazolaminehydrochloride3-AMINO-5-METHYLISOTHIAZOLE HYDROCHLORIDE

3-methyl-1,2-thiazol-5-amine;hydrochloride3-methyl-5-amino-isothiazole hcl5-ISOTHIAZOLAMINE, 3-METHYL-, MONOHYDROCHLORIDE3-methylisothiazole-5-ylamine, chloride3-methylisothiazol-5-amine;hydrochlorideH2NFR7BJQ3SCHEMBL1870273-Methylisothiazol-5-amine HCl

Database identifiers

CAS: 52547-00-9
PubChem CID: 2723918
DTXSID: DTXSID60966976
UNII: H2NFR7BJQ3
EC Number: 257-997-2

Properties

Computed structural properties

Topological polar surface area: 67.2 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 8
Formal charge: 0
Complexity: 66

Physicochemical properties

Melting point: 300 °C · 300 °C(lit.)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
form: powder
Appearance: Light yellow to brown Solid
BRN: 3689447 · 3689447
InChI: InChI=1S/C4H6N2S.ClH/c1-3-2-4(5)7-6-3;/h2H,5H2,1H3;1H
InChIKey: ZRTGHKVPFXNDHE-UHFFFAOYSA-N
SMILES: C1(C)=NSC(N)=C1.Cl
CAS DataBase Reference: 52547 · 52547-00-9(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H335-H315
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
PPE: 95 · Eyeshields, Gloves, type N95 (US)
Safety Statements: 22 · 22-24/25
WGK Germany: 3 · 3
RTECS: 8150300 · NX8150300
F: 10 · 10
HS Code: 2930909899 · 2930909899
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

Safety data

F: 10
PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
rtecs: NX8150300
hs_code: 2930909899
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 22-24/25
Storage Class: 11 - Combustible Solids
Hazard statements: H319-H335-H315
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

Chemistry & industry

Applications

Uses5-AMINO-3-METHYLISOTHIAZOLE HYDROCHLORIDE is used for pharmacological studies as a precursor for:• ;MMP12 inhibitors1• ;Aurora kinase inhibitors2• ;N-Heterocyclic indolyl glyoxylamides as anticancer agents3

UsesUsed for pharmacological studies as a precursor for:MMP12 inhibitorsAurora kinase inhibitorsN-Heterocyclic indolyl glyoxylamides as anticancer agents