5-(iodomethyl)-4,5-dihydro-1,3-thiazol-2-amine hydroiodide

• ChemBase ID: 123074
• Molecular Formular: C4H8I2N2S
• Molecular Mass: 369.99366
• Monoisotopic Mass: 369.84976527
• SMILES: C1(=NCC(S1)CI)N.I
• Canonical SMILES: NC1=NCC(S1)CI.I
• InChI: InChI=1S/C4H7IN2S.HI/c5-1-3-2-7-4(6)8-3;/h3H,1-2H2,(H2,6,7);1H
• InChIKey: BPWKLNJRHLOSEK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(iodomethyl)-4,5-dihydro-1,3-thiazol-2-amine hydroiodide
• IUPAC Traditional name: 5-(iodomethyl)-4,5-dihydro-1,3-thiazol-2-amine hydroiodide
• Synonyms: 5-(iodomethyl)-4,5-dihydrothiazol-2-amine hydroiodide

Database IDs

• PubChem SID: 162217427
• PubChem CID: 44668992

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.1418251
• LogD (pH = 7.4): -0.43382677
• Log P: 1.2498736
• Molar Refractivity: 45.1224 cm^3
• Polarizability: 17.493471 Å^3
• Polar Surface Area: 38.38 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: HI