thiomorpholine-4-carbohydrazide

• ChemBase ID: 265786
• Molecular Formular: C5H11N3OS
• Molecular Mass: 161.22534
• Monoisotopic Mass: 161.06228299
• SMILES: C(=O)(N1CCSCC1)NN
• Canonical SMILES: NNC(=O)N1CCSCC1
• InChI: InChI=1S/C5H11N3OS/c6-7-5(9)8-1-3-10-4-2-8/h1-4,6H2,(H,7,9)
• InChIKey: SRUWLBXJYJOGHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: thiomorpholine-4-carbohydrazide
• IUPAC Traditional name: thiomorpholine-4-carbohydrazide
• Synonyms: thiomorpholine-4-carbohydrazide

Database IDs

• MDL Number: MFCD11212703
• PubChem SID: 164321696
• PubChem CID: 43164001

CALCULATED PROPERTIES

• Acid pKa: 12.788181
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.8534196
• LogD (pH = 7.4): -0.8518209
• Log P: -0.85179865
• Molar Refractivity: 42.7802 cm^3
• Polarizability: 16.08524 Å^3
• Polar Surface Area: 58.36 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 129 - 131°C
• Hydrophobicity(logP): -0.751

Product Information

• Purity: 95%