ethane;4-methyl-1,3-oxathiolane

C6H14OS — CID 91468367

IUPACethane;4-methyl-1,3-oxathiolane
SMILESCC.CC1COCS1
InChIInChI=1S/C4H8OS.C2H6/c1-4-2-5-3-6-4;1-2/h4H,2-3H2,1H3;1-2H3
InChIKeyFZCLOIPGZGTXKR-UHFFFAOYSA-N
MW134.24 g/mol
LogP2.12
Rot. Bonds

About ethane;4-methyl-1,3-oxathiolane

ethane;4-methyl-1,3-oxathiolane (PubChem CID 91468367) has the molecular formula C6H14OS and a molecular weight of 134.24 g/mol. Its IUPAC name is ethane;4-methyl-1,3-oxathiolane.

Molecular Properties

Compound Nameethane;4-methyl-1,3-oxathiolane
PubChem CID91468367
Molecular FormulaC6H14OS
Molecular Weight134.24 g/mol
Exact Mass134.08
IUPAC Nameethane;4-methyl-1,3-oxathiolane
SMILESCC.CC1COCS1
InChIInChI=1S/C4H8OS.C2H6/c1-4-2-5-3-6-4;1-2/h4H,2-3H2,1H3;1-2H3
InChIKeyFZCLOIPGZGTXKR-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;4-methyl-1,3-oxathiolane?
The IUPAC name of ethane;4-methyl-1,3-oxathiolane (CID 91468367) is ethane;4-methyl-1,3-oxathiolane.
What is the SMILES notation for ethane;4-methyl-1,3-oxathiolane?
The canonical SMILES for ethane;4-methyl-1,3-oxathiolane is CC.CC1COCS1.
What is the InChIKey of ethane;4-methyl-1,3-oxathiolane?
The InChIKey is FZCLOIPGZGTXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8OS.C2H6/c1-4-2-5-3-6-4;1-2/h4H,2-3H2,1H3;1-2H3.
What are the key properties of ethane;4-methyl-1,3-oxathiolane?
ethane;4-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;4-methyl-1,3-oxathiolane is sourced from PubChem (CID 91468367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).