1-chlorosulfinyloxypentane

C5H11ClO2S — CID 71389966

IUPAC1-chlorosulfinyloxypentane
SMILESCCCCCOS(=O)Cl
InChIInChI=1S/C5H11ClO2S/c1-2-3-4-5-8-9(6)7/h2-5H2,1H3
InChIKeyJFKAOBVXROFNLH-UHFFFAOYSA-N
MW170.66 g/mol
LogP2.01
Rot. Bonds5

About 1-chlorosulfinyloxypentane

1-chlorosulfinyloxypentane (PubChem CID 71389966) has the molecular formula C5H11ClO2S and a molecular weight of 170.66 g/mol. Its IUPAC name is 1-chlorosulfinyloxypentane.

Molecular Properties

Compound Name1-chlorosulfinyloxypentane
PubChem CID71389966
Molecular FormulaC5H11ClO2S
Molecular Weight170.66 g/mol
Exact Mass170.02
IUPAC Name1-chlorosulfinyloxypentane
SMILESCCCCCOS(=O)Cl
InChIInChI=1S/C5H11ClO2S/c1-2-3-4-5-8-9(6)7/h2-5H2,1H3
InChIKeyJFKAOBVXROFNLH-UHFFFAOYSA-N
XLogP2.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.66
LogP ≤ 52.01
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-chlorosulfinyloxypentane?
The IUPAC name of 1-chlorosulfinyloxypentane (CID 71389966) is 1-chlorosulfinyloxypentane.
What is the SMILES notation for 1-chlorosulfinyloxypentane?
The canonical SMILES for 1-chlorosulfinyloxypentane is CCCCCOS(=O)Cl.
What is the InChIKey of 1-chlorosulfinyloxypentane?
The InChIKey is JFKAOBVXROFNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11ClO2S/c1-2-3-4-5-8-9(6)7/h2-5H2,1H3.
What are the key properties of 1-chlorosulfinyloxypentane?
1-chlorosulfinyloxypentane has a molecular weight of 170.66 g/mol, XLogP of 2.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chlorosulfinyloxypentane is sourced from PubChem (CID 71389966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).