1-chlorosulfinyloxyhexane

C6H13ClO2S — CID 71389965

IUPAC1-chlorosulfinyloxyhexane
SMILESCCCCCCOS(=O)Cl
InChIInChI=1S/C6H13ClO2S/c1-2-3-4-5-6-9-10(7)8/h2-6H2,1H3
InChIKeyHFPTUYKNPFLHAV-UHFFFAOYSA-N
MW184.69 g/mol
LogP2.40
Rot. Bonds6

About 1-chlorosulfinyloxyhexane

1-chlorosulfinyloxyhexane (PubChem CID 71389965) has the molecular formula C6H13ClO2S and a molecular weight of 184.69 g/mol. Its IUPAC name is 1-chlorosulfinyloxyhexane.

Molecular Properties

Compound Name1-chlorosulfinyloxyhexane
PubChem CID71389965
Molecular FormulaC6H13ClO2S
Molecular Weight184.69 g/mol
Exact Mass184.03
IUPAC Name1-chlorosulfinyloxyhexane
SMILESCCCCCCOS(=O)Cl
InChIInChI=1S/C6H13ClO2S/c1-2-3-4-5-6-9-10(7)8/h2-6H2,1H3
InChIKeyHFPTUYKNPFLHAV-UHFFFAOYSA-N
XLogP2.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.69
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chlorosulfinyloxyhexane?
The IUPAC name of 1-chlorosulfinyloxyhexane (CID 71389965) is 1-chlorosulfinyloxyhexane.
What is the SMILES notation for 1-chlorosulfinyloxyhexane?
The canonical SMILES for 1-chlorosulfinyloxyhexane is CCCCCCOS(=O)Cl.
What is the InChIKey of 1-chlorosulfinyloxyhexane?
The InChIKey is HFPTUYKNPFLHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13ClO2S/c1-2-3-4-5-6-9-10(7)8/h2-6H2,1H3.
What are the key properties of 1-chlorosulfinyloxyhexane?
1-chlorosulfinyloxyhexane has a molecular weight of 184.69 g/mol, XLogP of 2.40, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chlorosulfinyloxyhexane is sourced from PubChem (CID 71389965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).