2-methylsulfanyloxane

C6H12OS — CID 558906

IUPAC2-methylsulfanyloxane
SMILESCSC1CCCCO1
InChIInChI=1S/C6H12OS/c1-8-6-4-2-3-5-7-6/h6H,2-5H2,1H3
InChIKeyAGVXVNUUQRAKNA-UHFFFAOYSA-N
MW132.23 g/mol
LogP1.88
Rot. Bonds1

About 2-methylsulfanyloxane

2-methylsulfanyloxane (PubChem CID 558906) has the molecular formula C6H12OS and a molecular weight of 132.23 g/mol. Its IUPAC name is 2-methylsulfanyloxane.

Molecular Properties

Compound Name2-methylsulfanyloxane
PubChem CID558906
Molecular FormulaC6H12OS
Molecular Weight132.23 g/mol
Exact Mass132.06
IUPAC Name2-methylsulfanyloxane
SMILESCSC1CCCCO1
InChIInChI=1S/C6H12OS/c1-8-6-4-2-3-5-7-6/h6H,2-5H2,1H3
InChIKeyAGVXVNUUQRAKNA-UHFFFAOYSA-N
XLogP1.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-methylsulfanyloxane 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-methylsulfanyloxane?
The IUPAC name of 2-methylsulfanyloxane (CID 558906) is 2-methylsulfanyloxane.
What is the SMILES notation for 2-methylsulfanyloxane?
The canonical SMILES for 2-methylsulfanyloxane is CSC1CCCCO1.
What is the InChIKey of 2-methylsulfanyloxane?
The InChIKey is AGVXVNUUQRAKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12OS/c1-8-6-4-2-3-5-7-6/h6H,2-5H2,1H3.
What are the key properties of 2-methylsulfanyloxane?
2-methylsulfanyloxane has a molecular weight of 132.23 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyloxane is sourced from PubChem (CID 558906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).