4,5-dihydro-1,3-thiazole

• ChemBase ID: 129849
• Molecular Formular: C3H5NS
• Molecular Mass: 87.1435
• Monoisotopic Mass: 87.01427017
• SMILES: C1CSC=N1
• Canonical SMILES: C1CSC=N1
• InChI: InChI=1S/C3H5NS/c1-2-5-3-4-1/h3H,1-2H2
• InChIKey: CBDKQYKMCICBOF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,5-dihydro-1,3-thiazole
• IUPAC Traditional name: thiazoline
• Synonyms: 4,5-Dihydrothiazole; Thiazoline

Database IDs

• CAS Number: 504-79-0
• PubChem SID: 162224135
• PubChem CID: 120269
• Wikipedia Title: Thiazoline

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.22876014
• LogD (pH = 7.4): 0.4143525
• Log P: 0.43360636
• Molar Refractivity: 24.406 cm^3
• Polarizability: 9.336325 Å^3
• Polar Surface Area: 12.36 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: colourless liquid
• Boiling Point: 135-8 °C