2-N-methylthiophene-2,3-diamine

• ChemBase ID: 292475
• Molecular Formular: C5H8N2S
• Molecular Mass: 128.19542
• Monoisotopic Mass: 128.04081927
• SMILES: CNc1c(N)ccs1
• Canonical SMILES: CNc1sccc1N
• InChI: InChI=1S/C5H8N2S/c1-7-5-4(6)2-3-8-5/h2-3,7H,6H2,1H3
• InChIKey: VGEGOJQWIRRXDC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-N-methylthiophene-2,3-diamine
• IUPAC Traditional name: 2-N-methylthiophene-2,3-diamine
• Synonyms: N2-Methylthiophene-2,3-diamine

Database IDs

• CAS Number: 1314915-78-0
• PubChem SID: 180678006
• PubChem CID: 20200442

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.56353474
• LogD (pH = 7.4): 0.5635359
• Log P: 0.5635359
• Molar Refractivity: 37.2179 cm^3
• Polarizability: 13.084702 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%