2-methyl-1,3-oxathiolane

C4H8OS — CID 519463

IUPAC2-methyl-1,3-oxathiolane
SMILESCC1OCCS1
InChIInChI=1S/C4H8OS/c1-4-5-2-3-6-4/h4H,2-3H2,1H3
InChIKeyQNNPPEKCYFEVCF-UHFFFAOYSA-N
MW104.17 g/mol
LogP1.10
Rot. Bonds

About 2-methyl-1,3-oxathiolane

2-methyl-1,3-oxathiolane (PubChem CID 519463) has the molecular formula C4H8OS and a molecular weight of 104.17 g/mol. Its IUPAC name is 2-methyl-1,3-oxathiolane.

Molecular Properties

Compound Name2-methyl-1,3-oxathiolane
PubChem CID519463
Molecular FormulaC4H8OS
Molecular Weight104.17 g/mol
Exact Mass104.03
IUPAC Name2-methyl-1,3-oxathiolane
SMILESCC1OCCS1
InChIInChI=1S/C4H8OS/c1-4-5-2-3-6-4/h4H,2-3H2,1H3
InChIKeyQNNPPEKCYFEVCF-UHFFFAOYSA-N
XLogP1.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.17
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3-oxathiolane?
The IUPAC name of 2-methyl-1,3-oxathiolane (CID 519463) is 2-methyl-1,3-oxathiolane.
What is the SMILES notation for 2-methyl-1,3-oxathiolane?
The canonical SMILES for 2-methyl-1,3-oxathiolane is CC1OCCS1.
What is the InChIKey of 2-methyl-1,3-oxathiolane?
The InChIKey is QNNPPEKCYFEVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8OS/c1-4-5-2-3-6-4/h4H,2-3H2,1H3.
What are the key properties of 2-methyl-1,3-oxathiolane?
2-methyl-1,3-oxathiolane has a molecular weight of 104.17 g/mol, XLogP of 1.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3-oxathiolane is sourced from PubChem (CID 519463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).