ethane;5-methyl-1,3-oxathiolane

C6H14OS — CID 90975609

IUPACethane;5-methyl-1,3-oxathiolane
SMILESCC.CC1CSCO1
InChIInChI=1S/C4H8OS.C2H6/c1-4-2-6-3-5-4;1-2/h4H,2-3H2,1H3;1-2H3
InChIKeyXHLYHXISQSJKFF-UHFFFAOYSA-N
MW134.24 g/mol
LogP2.12
Rot. Bonds

About ethane;5-methyl-1,3-oxathiolane

ethane;5-methyl-1,3-oxathiolane (PubChem CID 90975609) has the molecular formula C6H14OS and a molecular weight of 134.24 g/mol. Its IUPAC name is ethane;5-methyl-1,3-oxathiolane.

Molecular Properties

Compound Nameethane;5-methyl-1,3-oxathiolane
PubChem CID90975609
Molecular FormulaC6H14OS
Molecular Weight134.24 g/mol
Exact Mass134.08
IUPAC Nameethane;5-methyl-1,3-oxathiolane
SMILESCC.CC1CSCO1
InChIInChI=1S/C4H8OS.C2H6/c1-4-2-6-3-5-4;1-2/h4H,2-3H2,1H3;1-2H3
InChIKeyXHLYHXISQSJKFF-UHFFFAOYSA-N
XLogP2.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.24
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-1,3-oxathiolane?
The IUPAC name of ethane;5-methyl-1,3-oxathiolane (CID 90975609) is ethane;5-methyl-1,3-oxathiolane.
What is the SMILES notation for ethane;5-methyl-1,3-oxathiolane?
The canonical SMILES for ethane;5-methyl-1,3-oxathiolane is CC.CC1CSCO1.
What is the InChIKey of ethane;5-methyl-1,3-oxathiolane?
The InChIKey is XHLYHXISQSJKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8OS.C2H6/c1-4-2-6-3-5-4;1-2/h4H,2-3H2,1H3;1-2H3.
What are the key properties of ethane;5-methyl-1,3-oxathiolane?
ethane;5-methyl-1,3-oxathiolane has a molecular weight of 134.24 g/mol, XLogP of 2.12, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-1,3-oxathiolane is sourced from PubChem (CID 90975609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).