dichloro-1,2,4-thiadiazole

• ChemBase ID: 59369
• Molecular Formular: C2Cl2N2S
• Molecular Mass: 155.0058
• Monoisotopic Mass: 153.91592437
• SMILES: s1c(nc(n1)Cl)Cl
• Canonical SMILES: Clc1snc(n1)Cl
• InChI: InChI=1S/C2Cl2N2S/c3-1-5-2(4)7-6-1
• InChIKey: CEUHPOVLEQUFCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dichloro-1,2,4-thiadiazole
• IUPAC Traditional name: dichloro-1,2,4-thiadiazole
• Synonyms: 3,5-Dichloro-1,2,4-thiadiazole

Database IDs

• CAS Number: 2254-88-8
• MDL Number: MFCD00799286
• PubChem SID: 162064132
• PubChem CID: 2725055

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.1556094
• LogD (pH = 7.4): 2.1556094
• Log P: 2.1556094
• Molar Refractivity: 31.6042 cm^3
• Polarizability: 11.573056 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful; IRRITANT
• TSCA Listed: false