2-cyclohexylethanesulfinyl chloride

C8H15ClOS — CID 165453642

IUPAC2-cyclohexylethanesulfinyl chloride
SMILESO=S(Cl)CCC1CCCCC1
InChIInChI=1S/C8H15ClOS/c9-11(10)7-6-8-4-2-1-3-5-8/h8H,1-7H2
InChIKeyIWTGACNTZZUMQS-UHFFFAOYSA-N
MW194.73 g/mol
LogP2.86
Rot. Bonds3

About 2-cyclohexylethanesulfinyl chloride

2-cyclohexylethanesulfinyl chloride (PubChem CID 165453642) has the molecular formula C8H15ClOS and a molecular weight of 194.73 g/mol. Its IUPAC name is 2-cyclohexylethanesulfinyl chloride.

Molecular Properties

Compound Name2-cyclohexylethanesulfinyl chloride
PubChem CID165453642
Molecular FormulaC8H15ClOS
Molecular Weight194.73 g/mol
Exact Mass194.05
IUPAC Name2-cyclohexylethanesulfinyl chloride
SMILESO=S(Cl)CCC1CCCCC1
InChIInChI=1S/C8H15ClOS/c9-11(10)7-6-8-4-2-1-3-5-8/h8H,1-7H2
InChIKeyIWTGACNTZZUMQS-UHFFFAOYSA-N
XLogP2.86
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.73
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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sodium 2-cyclobutylethanesulfinate
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4-cyclopentylbutylcyclohexane
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1-(3-cyclohexylpropyl)piperidine
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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylethanesulfinyl chloride?
The IUPAC name of 2-cyclohexylethanesulfinyl chloride (CID 165453642) is 2-cyclohexylethanesulfinyl chloride.
What is the SMILES notation for 2-cyclohexylethanesulfinyl chloride?
The canonical SMILES for 2-cyclohexylethanesulfinyl chloride is O=S(Cl)CCC1CCCCC1.
What is the InChIKey of 2-cyclohexylethanesulfinyl chloride?
The InChIKey is IWTGACNTZZUMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClOS/c9-11(10)7-6-8-4-2-1-3-5-8/h8H,1-7H2.
What are the key properties of 2-cyclohexylethanesulfinyl chloride?
2-cyclohexylethanesulfinyl chloride has a molecular weight of 194.73 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylethanesulfinyl chloride is sourced from PubChem (CID 165453642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).