iminodimethyl-λ6-sulfanone

• ChemBase ID: 71407
• Molecular Formular: C2H7NOS
• Molecular Mass: 93.14808
• Monoisotopic Mass: 93.02483485
• SMILES: S(=N)(=O)(C)C
• Canonical SMILES: CS(=O)(=N)C
• InChI: InChI=1S/C2H7NOS/c1-5(2,3)4/h3H,1-2H3
• InChIKey: DTGSFFWQUULHIF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: iminodimethyl-λ^6-sulfanone
• IUPAC Traditional name: iminodimethyl-λ^6-sulfanone
• Synonyms: (Dimethanesulfinylidene)amine

Database IDs

• CAS Number: 1520-31-6
• MDL Number: MFCD02656633
• PubChem SID: 162036997
• PubChem CID: 123119

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.292405
• LogD (pH = 7.4): -1.288362
• Log P: -1.2883103
• Molar Refractivity: 21.6547 cm^3
• Polarizability: 9.269095 Å^3
• Polar Surface Area: 40.92 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT

Product Information

• Purity: 95%