cyclohexene-1-sulfinyl chloride

C6H9ClOS — CID 100934688

IUPACcyclohexene-1-sulfinyl chloride
SMILESO=S(Cl)C1=CCCCC1
InChIInChI=1S/C6H9ClOS/c7-9(8)6-4-2-1-3-5-6/h4H,1-3,5H2
InChIKeyNZHVAZJSYYQILM-UHFFFAOYSA-N
MW164.66 g/mol
LogP2.35
Rot. Bonds1

About cyclohexene-1-sulfinyl chloride

cyclohexene-1-sulfinyl chloride (PubChem CID 100934688) has the molecular formula C6H9ClOS and a molecular weight of 164.66 g/mol. Its IUPAC name is cyclohexene-1-sulfinyl chloride.

Molecular Properties

Compound Namecyclohexene-1-sulfinyl chloride
PubChem CID100934688
Molecular FormulaC6H9ClOS
Molecular Weight164.66 g/mol
Exact Mass164.01
IUPAC Namecyclohexene-1-sulfinyl chloride
SMILESO=S(Cl)C1=CCCCC1
InChIInChI=1S/C6H9ClOS/c7-9(8)6-4-2-1-3-5-6/h4H,1-3,5H2
InChIKeyNZHVAZJSYYQILM-UHFFFAOYSA-N
XLogP2.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.66
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1-(methylsulfinylmethyl)cycloheptene
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1-(cyclodecen-1-yl)cyclodecene
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cyclohexen-1-ylmethanediol
CID 21392290
1-(cyclopenten-1-yl)cyclooctene
CID 91463872
cyclohexenylsilane
CID 23102944
1-bromocyclohexene
CID 519775

Frequently Asked Questions

What is the IUPAC name of cyclohexene-1-sulfinyl chloride?
The IUPAC name of cyclohexene-1-sulfinyl chloride (CID 100934688) is cyclohexene-1-sulfinyl chloride.
What is the SMILES notation for cyclohexene-1-sulfinyl chloride?
The canonical SMILES for cyclohexene-1-sulfinyl chloride is O=S(Cl)C1=CCCCC1.
What is the InChIKey of cyclohexene-1-sulfinyl chloride?
The InChIKey is NZHVAZJSYYQILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClOS/c7-9(8)6-4-2-1-3-5-6/h4H,1-3,5H2.
What are the key properties of cyclohexene-1-sulfinyl chloride?
cyclohexene-1-sulfinyl chloride has a molecular weight of 164.66 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexene-1-sulfinyl chloride is sourced from PubChem (CID 100934688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).