2-(methylsulfanylmethyl)oxolane

C6H12OS — CID 11789247

IUPAC2-(methylsulfanylmethyl)oxolane
SMILESCSCC1CCCO1
InChIInChI=1S/C6H12OS/c1-8-5-6-3-2-4-7-6/h6H,2-5H2,1H3
InChIKeyYZJJZAODCCEFNT-UHFFFAOYSA-N
MW132.23 g/mol
LogP1.53
Rot. Bonds2

About 2-(methylsulfanylmethyl)oxolane

2-(methylsulfanylmethyl)oxolane (PubChem CID 11789247) has the molecular formula C6H12OS and a molecular weight of 132.23 g/mol. Its IUPAC name is 2-(methylsulfanylmethyl)oxolane.

Molecular Properties

Compound Name2-(methylsulfanylmethyl)oxolane
PubChem CID11789247
Molecular FormulaC6H12OS
Molecular Weight132.23 g/mol
Exact Mass132.06
IUPAC Name2-(methylsulfanylmethyl)oxolane
SMILESCSCC1CCCO1
InChIInChI=1S/C6H12OS/c1-8-5-6-3-2-4-7-6/h6H,2-5H2,1H3
InChIKeyYZJJZAODCCEFNT-UHFFFAOYSA-N
XLogP1.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(methylsulfanylmethyl)oxolane?
The IUPAC name of 2-(methylsulfanylmethyl)oxolane (CID 11789247) is 2-(methylsulfanylmethyl)oxolane.
What is the SMILES notation for 2-(methylsulfanylmethyl)oxolane?
The canonical SMILES for 2-(methylsulfanylmethyl)oxolane is CSCC1CCCO1.
What is the InChIKey of 2-(methylsulfanylmethyl)oxolane?
The InChIKey is YZJJZAODCCEFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12OS/c1-8-5-6-3-2-4-7-6/h6H,2-5H2,1H3.
What are the key properties of 2-(methylsulfanylmethyl)oxolane?
2-(methylsulfanylmethyl)oxolane has a molecular weight of 132.23 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylsulfanylmethyl)oxolane is sourced from PubChem (CID 11789247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).