(5-ethyl-1,3,4-thiadiazol-2-yl)methanamine

• ChemBase ID: 308984
• Molecular Formular: C5H9N3S
• Molecular Mass: 143.21006
• Monoisotopic Mass: 143.0517183
• SMILES: n1nc(sc1CN)CC
• Canonical SMILES: CCc1nnc(s1)CN
• InChI: InChI=1S/C5H9N3S/c1-2-4-7-8-5(3-6)9-4/h2-3,6H2,1H3
• InChIKey: INWYCJDFWDQHBW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-ethyl-1,3,4-thiadiazol-2-yl)methanamine
• IUPAC Traditional name: (5-ethyl-1,3,4-thiadiazol-2-yl)methanamine
• Synonyms: 1-(5-ethyl-1,3,4-thiadiazol-2-yl)methanamine

Database IDs

• CAS Number: 1126637-93-1
• MDL Number: MFCD11844882

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.2192554
• LogD (pH = 7.4): -0.5977012
• Log P: -0.22917263
• Molar Refractivity: 38.2572 cm^3
• Polarizability: 14.242397 Å^3
• Polar Surface Area: 51.8 Å^2