3-chloro-1,2,5-thiadiazole

• ChemBase ID: 310180
• Molecular Formular: C2HClN2S
• Molecular Mass: 120.56074
• Monoisotopic Mass: 119.95489672
• SMILES: n1sncc1Cl
• Canonical SMILES: Clc1cnsn1
• InChI: InChI=1S/C2HClN2S/c3-2-1-4-6-5-2/h1H
• InChIKey: SIERESLMVMKVCT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-1,2,5-thiadiazole
• IUPAC Traditional name: 3-chloro-1,2,5-thiadiazole
• Synonyms: 3-chloro-1,2,5-thiadiazole

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.1799192
• LogD (pH = 7.4): 1.1799194
• Log P: 1.1799194
• Molar Refractivity: 26.7003 cm^3
• Polarizability: 9.425358 Å^3
• Polar Surface Area: 25.78 Å^2