[chloro(cyclohexyl)methyl]sulfinylbenzene

C13H17ClOS — CID 11817724

IUPAC[chloro(cyclohexyl)methyl]sulfinylbenzene
SMILESO=S(c1ccccc1)C(Cl)C1CCCCC1
InChIInChI=1S/C13H17ClOS/c14-13(11-7-3-1-4-8-11)16(15)12-9-5-2-6-10-12/h2,5-6,9-11,13H,1,3-4,7-8H2
InChIKeyRYJJRAKMTCKYLY-UHFFFAOYSA-N
MW256.80 g/mol
LogP3.94
Rot. Bonds3

About [chloro(cyclohexyl)methyl]sulfinylbenzene

[chloro(cyclohexyl)methyl]sulfinylbenzene (PubChem CID 11817724) has the molecular formula C13H17ClOS and a molecular weight of 256.80 g/mol. Its IUPAC name is [chloro(cyclohexyl)methyl]sulfinylbenzene.

Molecular Properties

Compound Name[chloro(cyclohexyl)methyl]sulfinylbenzene
PubChem CID11817724
Molecular FormulaC13H17ClOS
Molecular Weight256.80 g/mol
Exact Mass256.07
IUPAC Name[chloro(cyclohexyl)methyl]sulfinylbenzene
SMILESO=S(c1ccccc1)C(Cl)C1CCCCC1
InChIInChI=1S/C13H17ClOS/c14-13(11-7-3-1-4-8-11)16(15)12-9-5-2-6-10-12/h2,5-6,9-11,13H,1,3-4,7-8H2
InChIKeyRYJJRAKMTCKYLY-UHFFFAOYSA-N
XLogP3.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.80
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(1-chloro-2-phenylethyl)cycloheptane
CID 63542336
(1R)-2-(benzenesulfinyl)-1-cyclopentylethanol
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2-chloro-N-cyclohexyl-2-phenylacetamide
CID 11032339
chloro-[cyclopentyl(phenyl)methyl]silane
CID 123987755
(R)-cycloheptyl(phenyl)methanol
CID 94502427
cyclohexyl(phenyl)methanamine
CID 11064121
trans-(1R,2R)-2-(benzenesulfinyl)cyclooctan-1-ol
CID 101030165
trans-(1R,2R)-2-(benzenesulfinyl)cycloheptan-1-ol
CID 101030162
2-chloro-N-(1-cyclohexylpropyl)-2-phenylacetamide
CID 62407196
4-cyclohexyl-3-phenylbutanal;hydrate
CID 174480187
(2R)-2-cyclohexyl-2-phenylacetate
CID 6931336
(1-chloro-2-cyclopentylethyl)benzene
CID 63428897

Frequently Asked Questions

What is the IUPAC name of [chloro(cyclohexyl)methyl]sulfinylbenzene?
The IUPAC name of [chloro(cyclohexyl)methyl]sulfinylbenzene (CID 11817724) is [chloro(cyclohexyl)methyl]sulfinylbenzene.
What is the SMILES notation for [chloro(cyclohexyl)methyl]sulfinylbenzene?
The canonical SMILES for [chloro(cyclohexyl)methyl]sulfinylbenzene is O=S(c1ccccc1)C(Cl)C1CCCCC1.
What is the InChIKey of [chloro(cyclohexyl)methyl]sulfinylbenzene?
The InChIKey is RYJJRAKMTCKYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClOS/c14-13(11-7-3-1-4-8-11)16(15)12-9-5-2-6-10-12/h2,5-6,9-11,13H,1,3-4,7-8H2.
What are the key properties of [chloro(cyclohexyl)methyl]sulfinylbenzene?
[chloro(cyclohexyl)methyl]sulfinylbenzene has a molecular weight of 256.80 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [chloro(cyclohexyl)methyl]sulfinylbenzene is sourced from PubChem (CID 11817724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).