2-methoxy-1,3,4-thiadiazole

• ChemBase ID: 248629
• Molecular Formular: C3H4N2OS
• Molecular Mass: 116.14166
• Monoisotopic Mass: 116.00443376
• SMILES: c1(scnn1)OC
• Canonical SMILES: COc1nncs1
• InChI: InChI=1S/C3H4N2OS/c1-6-3-5-4-2-7-3/h2H,1H3
• InChIKey: VIZIACHUGMBQRP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD20526184
• PubChem SID: 164304539
• PubChem CID: 12816255

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.27487034
• LogD (pH = 7.4): 0.27487063
• Log P: 0.27487063
• Molar Refractivity: 27.3257 cm^3
• Polarizability: 9.909906 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.014

Product Information

• Purity: 95%