(4S)-1,3-thiazolidine-4-carbonitrile

• ChemBase ID: 815615
• Molecular Formular: C4H6N2S
• Molecular Mass: 114.16884
• Monoisotopic Mass: 114.0251692
• SMILES: S1CN[C@H](C1)C#N
• Canonical SMILES: C1SCN[C@H]1C#N
• InChI: InChI=1S/C4H6N2S/c5-1-4-2-7-3-6-4/h4,6H,2-3H2/t4-/m0/s1
• InChIKey: PRSDPVKGJUBIAA-BYPYZUCNSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4S)-1,3-thiazolidine-4-carbonitrile
• IUPAC Traditional name: (4S)-1,3-thiazolidine-4-carbonitrile
• Synonyms: (S)-thiazolidine-4-carbonitrile

Database IDs

• CAS Number: 908290-83-5

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%