(4R)-1,3-thiazolidine-4-carbonitrile hydrochloride

• ChemBase ID: 800297
• Molecular Formular: C4H7ClN2S
• Molecular Mass: 150.62978
• Monoisotopic Mass: 150.00184691
• SMILES: Cl.S1CN[C@@H](C1)C#N
• Canonical SMILES: C1SCN[C@@H]1C#N.Cl
• InChI: InChI=1S/C4H6N2S.ClH/c5-1-4-2-7-3-6-4;/h4,6H,2-3H2;1H/t4-;/m1./s1
• InChIKey: DKSWPRJRULFBTA-PGMHMLKASA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4R)-1,3-thiazolidine-4-carbonitrile hydrochloride
• IUPAC Traditional name: (4R)-1,3-thiazolidine-4-carbonitrile hydrochloride
• Synonyms: (R)-Thiazolidine-4-carbonitrile hydrochloride

Database IDs

• CAS Number: 391248-17-2

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.19512473
• LogD (pH = 7.4): -0.17899822
• Log P: -0.17878869
• Molar Refractivity: 29.8034 cm^3
• Polarizability: 11.810927 Å^3
• Polar Surface Area: 35.82 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%