Cyclohexanol, 1-[chloro(phenylsulfinyl)methyl]-

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Basic information

CAS: 21849-27-4
Standard SMILES: O=S(c1ccccc1)C(Cl)C1(O)CCCCC1
InChIKey: NZYSTWDIHAWZTR-UHFFFAOYSA-N
Molecular formula: C13H17ClO2S
Average molar mass: 272.79 g/mol
Monoisotopic mass: 272.0637786

Names & identifiers

Preferred name: Cyclohexanol, 1-[chloro(phenylsulfinyl)methyl]-
IUPAC: 1-[benzenesulfinyl(chloro)methyl]cyclohexan-1-ol

Names & synonyms

21849-27-4Cyclohexanol, 1-[chloro(phenylsulfinyl)methyl]-NSC170768DTXSID50305436AKOS015907205NSC-1707681-[chloro(phenylsulfinyl)methyl]cyclohexanol1-[(BENZENESULFINYL)(CHLORO)METHYL]CYCLOHEXAN-1-OL

Database identifiers

CAS: 21849-27-4
PubChem CID: 298575
DTXSID: DTXSID50305436

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 56.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 17
Formal charge: 0
Complexity: 271

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Compound notes

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