diphenyl-1,3-thiazole-5-sulfonyl chloride

• ChemBase ID: 92930
• Molecular Formular: C15H10ClNO2S2
• Molecular Mass: 335.8284
• Monoisotopic Mass: 334.98414825
• SMILES: n1c(c2ccccc2)sc(c1c1ccccc1)S(=O)(=O)Cl
• Canonical SMILES: ClS(=O)(=O)c1sc(nc1c1ccccc1)c1ccccc1
• InChI: InChI=1S/C15H10ClNO2S2/c16-21(18,19)15-13(11-7-3-1-4-8-11)17-14(20-15)12-9-5-2-6-10-12/h1-10H
• InChIKey: AWNJOBYLGNWNCQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diphenyl-1,3-thiazole-5-sulfonyl chloride
• IUPAC Traditional name: diphenyl-1,3-thiazole-5-sulfonyl chloride
• Synonyms: 2,4-diphenyl-1,3-thiazole-5-sulfonyl chloride; 5-(Chlorosulphonyl)-2,4-diphenyl-1,3-thiazole; 2,4-Diphenyl-1,3-thiazole-5-sulphonyl chloride 97%

Database IDs

• CAS Number: 868755-57-1
• MDL Number: MFCD08271911
• PubChem SID: 162079628
• PubChem CID: 18525757

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.8021836
• LogD (pH = 7.4): 4.8021836
• Log P: 4.8021836
• Molar Refractivity: 94.4863 cm^3
• Polarizability: 35.382298 Å^3
• Polar Surface Area: 47.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 172.5-173.5°C

Safety Information

• Storage Warning: Corrosive/Moisture Sensitive/Store under Argon/Keep Cold

Product Information

• Purity: 97%