thiomorpholine-4-carboximidamide hydroiodide

• ChemBase ID: 78926
• Molecular Formular: C5H12IN3S
• Molecular Mass: 273.13835
• Monoisotopic Mass: 272.9796664
• SMILES: N1(C(=N)N)CCSCC1.I
• Canonical SMILES: NC(=N)N1CCSCC1.I
• InChI: InChI=1S/C5H11N3S.HI/c6-5(7)8-1-3-9-4-2-8;/h1-4H2,(H3,6,7);1H
• InChIKey: DARVSRPLQYIROQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: thiomorpholine-4-carboximidamide hydroiodide
• IUPAC Traditional name: thiomorpholine-4-carboximidamide hydroiodide
• Synonyms: thiomorpholine-4-carboximidamide hydroiodide

Database IDs

• MDL Number: MFCD00275932
• PubChem SID: 162043689
• PubChem CID: 2774442

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.7515419
• LogD (pH = 7.4): -2.7506304
• Log P: -0.3360948
• Molar Refractivity: 51.2882 cm^3
• Polarizability: 15.281873 Å^3
• Polar Surface Area: 53.11 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true