trimethylthiophen-2-amine

• ChemBase ID: 283187
• Molecular Formular: C7H11NS
• Molecular Mass: 141.23394
• Monoisotopic Mass: 141.06122036
• SMILES: c1(sc(c(c1C)C)C)N
• Canonical SMILES: Cc1sc(c(c1C)C)N
• InChI: InChI=1S/C7H11NS/c1-4-5(2)7(8)9-6(4)3/h8H2,1-3H3
• InChIKey: ZNWNUWGRRICEAC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trimethylthiophen-2-amine
• IUPAC Traditional name: trimethylthiophen-2-amine
• Synonyms: 3,4,5-trimethylthiophen-2-amine

Database IDs

• MDL Number: MFCD20501956
• PubChem SID: 180668718
• PubChem CID: 23464313

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.76346
• LogD (pH = 7.4): 2.7634614
• Log P: 2.7634614
• Molar Refractivity: 42.1628 cm^3
• Polarizability: 15.385431 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.108

Product Information

• Purity: 95%