2-(ethylsulfanylmethyl)oxolane

C7H14OS — CID 12640998

IUPAC2-(ethylsulfanylmethyl)oxolane
SMILESCCSCC1CCCO1
InChIInChI=1S/C7H14OS/c1-2-9-6-7-4-3-5-8-7/h7H,2-6H2,1H3
InChIKeyPDFOKSJUYOMEPU-UHFFFAOYSA-N
MW146.25 g/mol
LogP1.92
Rot. Bonds3

About 2-(ethylsulfanylmethyl)oxolane

2-(ethylsulfanylmethyl)oxolane (PubChem CID 12640998) has the molecular formula C7H14OS and a molecular weight of 146.25 g/mol. Its IUPAC name is 2-(ethylsulfanylmethyl)oxolane.

Molecular Properties

Compound Name2-(ethylsulfanylmethyl)oxolane
PubChem CID12640998
Molecular FormulaC7H14OS
Molecular Weight146.25 g/mol
Exact Mass146.08
IUPAC Name2-(ethylsulfanylmethyl)oxolane
SMILESCCSCC1CCCO1
InChIInChI=1S/C7H14OS/c1-2-9-6-7-4-3-5-8-7/h7H,2-6H2,1H3
InChIKeyPDFOKSJUYOMEPU-UHFFFAOYSA-N
XLogP1.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.25
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(ethylsulfanylmethyl)oxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfanylmethyl)oxolane?
The IUPAC name of 2-(ethylsulfanylmethyl)oxolane (CID 12640998) is 2-(ethylsulfanylmethyl)oxolane.
What is the SMILES notation for 2-(ethylsulfanylmethyl)oxolane?
The canonical SMILES for 2-(ethylsulfanylmethyl)oxolane is CCSCC1CCCO1.
What is the InChIKey of 2-(ethylsulfanylmethyl)oxolane?
The InChIKey is PDFOKSJUYOMEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14OS/c1-2-9-6-7-4-3-5-8-7/h7H,2-6H2,1H3.
What are the key properties of 2-(ethylsulfanylmethyl)oxolane?
2-(ethylsulfanylmethyl)oxolane has a molecular weight of 146.25 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfanylmethyl)oxolane is sourced from PubChem (CID 12640998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).