(2-propyl-1,3-thiazol-4-yl)methanamine hydrochloride

• ChemBase ID: 143818
• Molecular Formular: C7H13ClN2S
• Molecular Mass: 192.70952
• Monoisotopic Mass: 192.04879711
• SMILES: CCCc1nc(cs1)CN.Cl
• Canonical SMILES: CCCc1scc(n1)CN.Cl
• InChI: InChI=1S/C7H12N2S.ClH/c1-2-3-7-9-6(4-8)5-10-7;/h5H,2-4,8H2,1H3;1H
• InChIKey: DAATWHXUJORYAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-propyl-1,3-thiazol-4-yl)methanamine hydrochloride
• IUPAC Traditional name: (2-propyl-1,3-thiazol-4-yl)methanamine hydrochloride
• Synonyms: 1-(2-Propyl-1,3-thiazol-4-yl)methanamine hydrochloride

Database IDs

• MDL Number: MFCD18071225
• PubChem SID: 162238035
• PubChem CID: 50944167

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4791971
• LogD (pH = 7.4): 0.17866257
• Log P: 1.1074482
• Molar Refractivity: 42.8862 cm^3
• Polarizability: 16.909649 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C7H13ClN2S

DETAILS

Sigma Aldrich - CBR00885

Other Notes
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Legal Information
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