thiophene-3,4-diamine dihydrochloride

• ChemBase ID: 796441
• Molecular Formular: C4H8Cl2N2S
• Molecular Mass: 187.09072
• Monoisotopic Mass: 185.97852463
• SMILES: Cl.Cl.s1cc(c(c1)N)N
• Canonical SMILES: Nc1cscc1N.Cl.Cl
• InChI: InChI=1S/C4H6N2S.2ClH/c5-3-1-7-2-4(3)6;;/h1-2H,5-6H2;2*1H
• InChIKey: RAMOMCXNLLLICQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: thiophene-3,4-diamine dihydrochloride
• IUPAC Traditional name: thiophene-3,4-diamine dihydrochloride
• Synonyms: Thiophene-3,4-diaMine dihydrochloride

Database IDs

• CAS Number: 90069-81-1

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.09583586
• LogD (pH = 7.4): 0.095835865
• Log P: 0.095835865
• Molar Refractivity: 32.5646 cm^3
• Polarizability: 11.237133 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%