2-methyl-5-phenyl-1,3-thiazole-4-sulfonyl chloride

• ChemBase ID: 239554
• Molecular Formular: C10H8ClNO2S2
• Molecular Mass: 273.75902
• Monoisotopic Mass: 272.96849818
• SMILES: c1(S(=O)(=O)Cl)nc(sc1c1ccccc1)C
• Canonical SMILES: Cc1sc(c(n1)S(=O)(=O)Cl)c1ccccc1
• InChI: InChI=1S/C10H8ClNO2S2/c1-7-12-10(16(11,13)14)9(15-7)8-5-3-2-4-6-8/h2-6H,1H3
• InChIKey: ASNISBPRUHTOPC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-5-phenyl-1,3-thiazole-4-sulfonyl chloride
• IUPAC Traditional name: 2-methyl-5-phenyl-1,3-thiazole-4-sulfonyl chloride
• Synonyms: 2-methyl-5-phenyl-1,3-thiazole-4-sulfonyl chloride

Database IDs

• MDL Number: MFCD22378758
• PubChem SID: 164295464
• PubChem CID: 71668517

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.9397953
• LogD (pH = 7.4): 2.9397953
• Log P: 2.9397953
• Molar Refractivity: 65.1351 cm^3
• Polarizability: 26.902689 Å^3
• Polar Surface Area: 47.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.111

Product Information

• Purity: 95%