methane; thiophene-3,4-diamine

• ChemBase ID: 166844
• Molecular Formular: C5H10N2S
• Molecular Mass: 130.2113
• Monoisotopic Mass: 130.05646933
• SMILES: s1cc(c(c1)N)N.C
• Canonical SMILES: Nc1cscc1N.C
• InChI: InChI=1S/C4H6N2S.CH4/c5-3-1-7-2-4(3)6;/h1-2H,5-6H2;1H4
• InChIKey: GCIWBECSBONMJR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methane; thiophene-3,4-diamine
• IUPAC Traditional name: methane; thiophene-3,4-diamine
• Synonyms: 3,4-Thiophenediamine Dihydrochloride; 3,4-Diaminothiophene Dihydrochloride

Database IDs

• CAS Number: 90069-81-1
• PubChem SID: 162260977
• PubChem CID: 71315903

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

• Solubility: DMSO
• Apperance: Light Brown Solid
• Melting Point: 174-178°C

Safety Information

• Storage Condition: -20°C Freezer