2-chloro-1-ethoxy-3-ethylsulfanylpropane

C7H15ClOS — CID 154107508

IUPAC2-chloro-1-ethoxy-3-ethylsulfanylpropane
SMILESCCOCC(Cl)CSCC
InChIInChI=1S/C7H15ClOS/c1-3-9-5-7(8)6-10-4-2/h7H,3-6H2,1-2H3
InChIKeyLPLVZVACGQCZCK-UHFFFAOYSA-N
MW182.72 g/mol
LogP2.38
Rot. Bonds6

About 2-chloro-1-ethoxy-3-ethylsulfanylpropane

2-chloro-1-ethoxy-3-ethylsulfanylpropane (PubChem CID 154107508) has the molecular formula C7H15ClOS and a molecular weight of 182.72 g/mol. Its IUPAC name is 2-chloro-1-ethoxy-3-ethylsulfanylpropane.

Molecular Properties

Compound Name2-chloro-1-ethoxy-3-ethylsulfanylpropane
PubChem CID154107508
Molecular FormulaC7H15ClOS
Molecular Weight182.72 g/mol
Exact Mass182.05
IUPAC Name2-chloro-1-ethoxy-3-ethylsulfanylpropane
SMILESCCOCC(Cl)CSCC
InChIInChI=1S/C7H15ClOS/c1-3-9-5-7(8)6-10-4-2/h7H,3-6H2,1-2H3
InChIKeyLPLVZVACGQCZCK-UHFFFAOYSA-N
XLogP2.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.72
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-chloro-1-ethoxy-3-ethylsulfanylpropane?
The IUPAC name of 2-chloro-1-ethoxy-3-ethylsulfanylpropane (CID 154107508) is 2-chloro-1-ethoxy-3-ethylsulfanylpropane.
What is the SMILES notation for 2-chloro-1-ethoxy-3-ethylsulfanylpropane?
The canonical SMILES for 2-chloro-1-ethoxy-3-ethylsulfanylpropane is CCOCC(Cl)CSCC.
What is the InChIKey of 2-chloro-1-ethoxy-3-ethylsulfanylpropane?
The InChIKey is LPLVZVACGQCZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15ClOS/c1-3-9-5-7(8)6-10-4-2/h7H,3-6H2,1-2H3.
What are the key properties of 2-chloro-1-ethoxy-3-ethylsulfanylpropane?
2-chloro-1-ethoxy-3-ethylsulfanylpropane has a molecular weight of 182.72 g/mol, XLogP of 2.38, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-ethoxy-3-ethylsulfanylpropane is sourced from PubChem (CID 154107508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).