1,2,3-thiadiazol-4-ylmethanamine hydrochloride

• ChemBase ID: 277303
• Molecular Formular: C3H6ClN3S
• Molecular Mass: 151.61784
• Monoisotopic Mass: 150.99709589
• SMILES: n1nc(cs1)CN.Cl
• Canonical SMILES: NCc1csnn1.Cl
• InChI: InChI=1S/C3H5N3S.ClH/c4-1-3-2-7-6-5-3;/h2H,1,4H2;1H
• InChIKey: SCRABKWJPWQVMB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,3-thiadiazol-4-ylmethanamine hydrochloride
• IUPAC Traditional name: 1,2,3-thiadiazol-4-ylmethanamine hydrochloride
• Synonyms: 1,2,3-thiadiazol-4-ylmethanamine hydrochloride

Database IDs

• MDL Number: MFCD19686407
• PubChem SID: 164333213
• PubChem CID: 54594597

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.5745866
• LogD (pH = 7.4): -0.880361
• Log P: -0.23077624
• Molar Refractivity: 28.3072 cm^3
• Polarizability: 10.682091 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.224

Product Information

• Purity: 95%