5,6,7,8-tetrahydronaphthalene-1-sulfonyl chloride

• ChemBase ID: 264178
• Molecular Formular: C10H11ClO2S
• Molecular Mass: 230.71114
• Monoisotopic Mass: 230.01682827
• SMILES: S(=O)(=O)(c1c2c(ccc1)CCCC2)Cl
• Canonical SMILES: ClS(=O)(=O)c1cccc2c1CCCC2
• InChI: InChI=1S/C10H11ClO2S/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10/h3,5,7H,1-2,4,6H2
• InChIKey: WOJRSDINYVOLJK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,6,7,8-tetrahydronaphthalene-1-sulfonyl chloride
• IUPAC Traditional name: 5,6,7,8-tetrahydronaphthalene-1-sulfonyl chloride
• Synonyms: 5,6,7,8-tetrahydronaphthalene-1-sulfonyl chloride

Database IDs

• MDL Number: MFCD09738285
• PubChem SID: 164320088
• PubChem CID: 16791488

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.371803
• LogD (pH = 7.4): 3.371803
• Log P: 3.371803
• Molar Refractivity: 57.7344 cm^3
• Polarizability: 22.8583 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.742

Product Information

• Purity: 95%