3-Methylisothiazol-5-amine

HCID 32307CAS 24340-76-9

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Basic information

Standard SMILES: Cc1cc(N)sn1
InChIKey: CQMHIXRPQGPCNT-UHFFFAOYSA-N
Molecular formula: C4H6N2S
Average molar mass: 114.17 g/mol
Monoisotopic mass: 114.02516937

Names & identifiers

Preferred name: 3-Methylisothiazol-5-amine
IUPAC: 3-methyl-1,2-thiazol-5-amine
English name: 3-methylisothiazol-5-amine
Molecular formula: C4H6N2S
Molecular weight: 114.17

Names & synonyms

3-Methylisothiazol-5-amine24340-76-95-AMINO-3-METHYLISOTHIAZOLEEINECS 246-176-4DTXSID20179080RefChem:504268DTXCID50101571246-176-43-methyl-1,2-thiazol-5-amine5-Isothiazolamine, 3-methyl-3-METHYL-ISOTHIAZOL-5-YLAMINE3-METHYL-5-ISOTHIAZOLAMINE

Show more names

5-IsothiazolaMine,3-Methyl-

MFCD000445205-Isothiazolamine, 3-methyl-, hydrochloride3-methylisothiazole-5-ylamine3-methyl-5-amino-isothiazole hcl3-methyl-5-aminoisothiazole5SF7KHS8TD5-amino-2-methylisothiazole3-methyl-5-isothiazolylamine

Database identifiers

CAS: 24340-76-9
PubChem CID: 32307
DTXSID: DTXSID20179080
UNII: 5SF7KHS8TD
EC Number: 246-176-4
Nikkaji: J277.175F

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 67.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 7
Formal charge: 0
Complexity: 66

Physicochemical properties

Melting point: 52 · 52-53 °C
Boiling point: 190 · 190-192 °C(Press: 0.1 Torr)
Density: 1.66 g/cm3 · 1.66 g/cm3
pka: 8.45 · 8.45±0.50(Predicted)
form: liquid
color: Brown
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P403+P233-P405-P501
HS Code: 2934999090 · 2934999090

Safety & regulation

Safety data

hs_code: 2934999090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P403+P233-P405-P501

Chemistry & industry

Applications

Uses3-Methyl-5-isothiazolamine is a useful reagent for the synthesis of pyrrolidinyl ureas as potent FPR2 selective agonists for heart failure prevention.