1-chloro-3-(2-methoxyethylsulfonyl)propane

C6H13ClO3S — CID 43445958

IUPAC1-chloro-3-(2-methoxyethylsulfonyl)propane
SMILESCOCCS(=O)(=O)CCCCl
InChIInChI=1S/C6H13ClO3S/c1-10-4-6-11(8,9)5-2-3-7/h2-6H2,1H3
InChIKeyICNYZQTZJWGTRS-UHFFFAOYSA-N
MW200.69 g/mol
LogP0.68
Rot. Bonds6

About 1-chloro-3-(2-methoxyethylsulfonyl)propane

1-chloro-3-(2-methoxyethylsulfonyl)propane (PubChem CID 43445958) has the molecular formula C6H13ClO3S and a molecular weight of 200.69 g/mol. Its IUPAC name is 1-chloro-3-(2-methoxyethylsulfonyl)propane.

Molecular Properties

Compound Name1-chloro-3-(2-methoxyethylsulfonyl)propane
PubChem CID43445958
Molecular FormulaC6H13ClO3S
Molecular Weight200.69 g/mol
Exact Mass200.03
IUPAC Name1-chloro-3-(2-methoxyethylsulfonyl)propane
SMILESCOCCS(=O)(=O)CCCCl
InChIInChI=1S/C6H13ClO3S/c1-10-4-6-11(8,9)5-2-3-7/h2-6H2,1H3
InChIKeyICNYZQTZJWGTRS-UHFFFAOYSA-N
XLogP0.68
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.69
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(2-methoxyethylsulfonyl)propane?
The IUPAC name of 1-chloro-3-(2-methoxyethylsulfonyl)propane (CID 43445958) is 1-chloro-3-(2-methoxyethylsulfonyl)propane.
What is the SMILES notation for 1-chloro-3-(2-methoxyethylsulfonyl)propane?
The canonical SMILES for 1-chloro-3-(2-methoxyethylsulfonyl)propane is COCCS(=O)(=O)CCCCl.
What is the InChIKey of 1-chloro-3-(2-methoxyethylsulfonyl)propane?
The InChIKey is ICNYZQTZJWGTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13ClO3S/c1-10-4-6-11(8,9)5-2-3-7/h2-6H2,1H3.
What are the key properties of 1-chloro-3-(2-methoxyethylsulfonyl)propane?
1-chloro-3-(2-methoxyethylsulfonyl)propane has a molecular weight of 200.69 g/mol, XLogP of 0.68, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(2-methoxyethylsulfonyl)propane is sourced from PubChem (CID 43445958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).