ethane;2-methyl-1,4-oxathiane 4-oxide

C7H16O2S — CID 90960371

IUPACethane;2-methyl-1,4-oxathiane 4-oxide
SMILESCC.CC1CS(=O)CCO1
InChIInChI=1S/C5H10O2S.C2H6/c1-5-4-8(6)3-2-7-5;1-2/h5H,2-4H2,1H3;1-2H3
InChIKeyNNLNMEYIIJNSLR-UHFFFAOYSA-N
MW164.27 g/mol
LogP1.18
Rot. Bonds

About ethane;2-methyl-1,4-oxathiane 4-oxide

ethane;2-methyl-1,4-oxathiane 4-oxide (PubChem CID 90960371) has the molecular formula C7H16O2S and a molecular weight of 164.27 g/mol. Its IUPAC name is ethane;2-methyl-1,4-oxathiane 4-oxide.

Molecular Properties

Compound Nameethane;2-methyl-1,4-oxathiane 4-oxide
PubChem CID90960371
Molecular FormulaC7H16O2S
Molecular Weight164.27 g/mol
Exact Mass164.09
IUPAC Nameethane;2-methyl-1,4-oxathiane 4-oxide
SMILESCC.CC1CS(=O)CCO1
InChIInChI=1S/C5H10O2S.C2H6/c1-5-4-8(6)3-2-7-5;1-2/h5H,2-4H2,1H3;1-2H3
InChIKeyNNLNMEYIIJNSLR-UHFFFAOYSA-N
XLogP1.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.27
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-1,4-oxathiane 4-oxide?
The IUPAC name of ethane;2-methyl-1,4-oxathiane 4-oxide (CID 90960371) is ethane;2-methyl-1,4-oxathiane 4-oxide.
What is the SMILES notation for ethane;2-methyl-1,4-oxathiane 4-oxide?
The canonical SMILES for ethane;2-methyl-1,4-oxathiane 4-oxide is CC.CC1CS(=O)CCO1.
What is the InChIKey of ethane;2-methyl-1,4-oxathiane 4-oxide?
The InChIKey is NNLNMEYIIJNSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2S.C2H6/c1-5-4-8(6)3-2-7-5;1-2/h5H,2-4H2,1H3;1-2H3.
What are the key properties of ethane;2-methyl-1,4-oxathiane 4-oxide?
ethane;2-methyl-1,4-oxathiane 4-oxide has a molecular weight of 164.27 g/mol, XLogP of 1.18, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-1,4-oxathiane 4-oxide is sourced from PubChem (CID 90960371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).