thiophene-3,4-diamine dihydrobromide

• ChemBase ID: 30392
• Molecular Formular: C4H8Br2N2S
• Molecular Mass: 275.99272
• Monoisotopic Mass: 273.87749327
• SMILES: c1(c(csc1)N)N.Br.Br
• Canonical SMILES: Nc1cscc1N.Br.Br
• InChI: InChI=1S/C4H6N2S.2BrH/c5-3-1-7-2-4(3)6;;/h1-2H,5-6H2;2*1H
• InChIKey: WGSALEGYSVVPJQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD00143058
• PubChem SID: 160993699
• PubChem CID: 21989329

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

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false