adamantane-1-sulfinyl chloride

• ChemBase ID: 114775
• Molecular Formular: C10H15ClOS
• Molecular Mass: 218.7435
• Monoisotopic Mass: 218.05321378
• SMILES: C12(S(=O)Cl)CC3CC(C2)CC(C1)C3
• Canonical SMILES: ClS(=O)C12CC3CC(C2)CC(C1)C3
• InChI: InChI=1S/C10H15ClOS/c11-13(12)10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6H2
• InChIKey: BHZSRFGORFYGLW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: adamantane-1-sulfinyl chloride
• IUPAC Traditional name: adamantane-1-sulfinyl chloride
• Synonyms: Adamantane-1-sulfinyl chloride

Database IDs

• PubChem SID: 162106972
• PubChem CID: 4737333

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.5372
• LogD (pH = 7.4): 2.5372
• Log P: 2.5372
• Molar Refractivity: 54.6485 cm^3
• Polarizability: 22.450735 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 2.453

Product Information

• Purity: 95+%