thiophene-3,4-diamine

• ChemBase ID: 268906
• Molecular Formular: C4H6N2S
• Molecular Mass: 114.16884
• Monoisotopic Mass: 114.0251692
• SMILES: c1(c(csc1)N)N
• Canonical SMILES: Nc1cscc1N
• InChI: InChI=1S/C4H6N2S/c5-3-1-7-2-4(3)6/h1-2H,5-6H2
• InChIKey: AGZYNVVJQAOVRP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD00066983
• PubChem SID: 164324816
• PubChem CID: 643216

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

Physical Property

• Hydrophobicity(logP): 0.134

Product Information

• Purity: 95%