dichloro-[1,3]thiazolo[5,4-d][1,3]thiazole

• ChemBase ID: 80257
• Molecular Formular: C4Cl2N2S2
• Molecular Mass: 211.0922
• Monoisotopic Mass: 209.88799537
• SMILES: n1c(Cl)sc2c1sc(n2)Cl
• Canonical SMILES: Clc1nc2c(s1)nc(s2)Cl
• InChI: InChI=1S/C4Cl2N2S2/c5-3-7-1-2(10-3)8-4(6)9-1
• InChIKey: IJSRVMICCYLKPP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dichloro-[1,3]thiazolo[5,4-d][1,3]thiazole
• IUPAC Traditional name: dichloro-[1,3]thiazolo[5,4-d][1,3]thiazole
• Synonyms: 2,5-Dichloro[1,3]thiazolo[5,4-d][1,3]thiazole

Database IDs

• CAS Number: 50616-95-0
• MDL Number: MFCD00829447
• PubChem SID: 162067377
• PubChem CID: 2775948

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.055473
• LogD (pH = 7.4): 3.055473
• Log P: 3.055473
• Molar Refractivity: 42.4502 cm^3
• Polarizability: 16.424221 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful