(1-methyl-1H-imidazol-2-yl)(thiophen-2-yl)methanol

• ChemBase ID: 306515
• Molecular Formular: C9H10N2OS
• Molecular Mass: 194.2535
• Monoisotopic Mass: 194.05138395
• SMILES: c1(C(c2sccc2)O)n(ccn1)C
• Canonical SMILES: Cn1ccnc1C(c1cccs1)O
• InChI: InChI=1S/C9H10N2OS/c1-11-5-4-10-9(11)8(12)7-3-2-6-13-7/h2-6,8,12H,1H3
• InChIKey: CBFYFUUPVYIGCM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-methyl-1H-imidazol-2-yl)(thiophen-2-yl)methanol
• IUPAC Traditional name: (1-methylimidazol-2-yl)(thiophen-2-yl)methanol
• Synonyms: (1-methyl-1H-imidazol-2-yl)(2-thienyl)methanol

Database IDs

• CAS Number: 191021-14-4
• MDL Number: MFCD03211770

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.92848855
• LogD (pH = 7.4): 1.2274792
• Log P: 1.2335793
• Molar Refractivity: 51.3002 cm^3
• Polarizability: 19.62595 Å^3
• Polar Surface Area: 38.05 Å^2