2-iodo-1,3,4-thiadiazole

• ChemBase ID: 282265
• Molecular Formular: C2HIN2S
• Molecular Mass: 212.01221
• Monoisotopic Mass: 211.89051704
• SMILES: c1(scnn1)I
• Canonical SMILES: Ic1nncs1
• InChI: InChI=1S/C2HIN2S/c3-2-5-4-1-6-2/h1H
• InChIKey: VPSGDHZFVJANQC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-iodo-1,3,4-thiadiazole
• IUPAC Traditional name: 2-iodo-1,3,4-thiadiazole
• Synonyms: 2-iodo-1,3,4-thiadiazole

Database IDs

• MDL Number: MFCD11112108
• PubChem SID: 180667796
• PubChem CID: 18182172

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.79961634
• LogD (pH = 7.4): 0.79961646
• Log P: 0.79961646
• Molar Refractivity: 33.6196 cm^3
• Polarizability: 13.009895 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.554

Product Information

• Purity: 95%