(dichloro-1,3-thiazol-5-yl)methanol

• ChemBase ID: 288351
• Molecular Formular: C4H3Cl2NOS
• Molecular Mass: 184.04372
• Monoisotopic Mass: 182.93124008
• SMILES: OCc1c(Cl)nc(Cl)s1
• Canonical SMILES: OCc1sc(nc1Cl)Cl
• InChI: InChI=1S/C4H3Cl2NOS/c5-3-2(1-8)9-4(6)7-3/h8H,1H2
• InChIKey: DGNCUHDHEDTUSH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (dichloro-1,3-thiazol-5-yl)methanol
• IUPAC Traditional name: (dichloro-1,3-thiazol-5-yl)methanol
• Synonyms: (2,4-Dichlorothiazol-5-yl)methanol; 2,4-Dichloro-5-thiazoleMethanol

Database IDs

• CAS Number: 170232-69-6
• MDL Number: MFCD09751262
• PubChem SID: 180673882
• PubChem CID: 10375112

CALCULATED PROPERTIES

• Acid pKa: 13.436276
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.7353644
• LogD (pH = 7.4): 1.7353641
• Log P: 1.7353644
• Molar Refractivity: 38.7584 cm^3
• Polarizability: 14.762184 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%