1,2,3-thiadiazol-5-amine

• ChemBase ID: 276776
• Molecular Formular: C2H3N3S
• Molecular Mass: 101.13032
• Monoisotopic Mass: 101.00476811
• SMILES: n1sc(cn1)N
• Canonical SMILES: Nc1cnns1
• InChI: InChI=1S/C2H3N3S/c3-2-1-4-5-6-2/h1H,3H2
• InChIKey: PVGHNTXQMCYYGF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,3-thiadiazol-5-amine
• IUPAC Traditional name: 1,2,3-thiadiazol-5-amine
• Synonyms: 1,2,3-thiadiazol-5-amine

Database IDs

• CAS Number: 4100-41-8
• MDL Number: MFCD00082810
• PubChem SID: 164332686
• PubChem CID: 77736

CALCULATED PROPERTIES

• Acid pKa: 16.029282
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.10099898
• LogD (pH = 7.4): -0.10094721
• Log P: -0.100946546
• Molar Refractivity: 24.2163 cm^3
• Polarizability: 8.509448 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.403

Product Information

• Purity: 95%; 95+%