2-methyl-1,3-oxathiane

C5H10OS — CID 542685

IUPAC2-methyl-1,3-oxathiane
SMILESCC1OCCCS1
InChIInChI=1S/C5H10OS/c1-5-6-3-2-4-7-5/h5H,2-4H2,1H3
InChIKeyVKZBKCJAWXBYBF-UHFFFAOYSA-N
MW118.20 g/mol
LogP1.49
Rot. Bonds

About 2-methyl-1,3-oxathiane

2-methyl-1,3-oxathiane (PubChem CID 542685) has the molecular formula C5H10OS and a molecular weight of 118.20 g/mol. Its IUPAC name is 2-methyl-1,3-oxathiane.

Molecular Properties

Compound Name2-methyl-1,3-oxathiane
PubChem CID542685
Molecular FormulaC5H10OS
Molecular Weight118.20 g/mol
Exact Mass118.05
IUPAC Name2-methyl-1,3-oxathiane
SMILESCC1OCCCS1
InChIInChI=1S/C5H10OS/c1-5-6-3-2-4-7-5/h5H,2-4H2,1H3
InChIKeyVKZBKCJAWXBYBF-UHFFFAOYSA-N
XLogP1.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.20
LogP ≤ 51.49
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-oxathiane?
The IUPAC name of 2-methyl-1,3-oxathiane (CID 542685) is 2-methyl-1,3-oxathiane.
What is the SMILES notation for 2-methyl-1,3-oxathiane?
The canonical SMILES for 2-methyl-1,3-oxathiane is CC1OCCCS1.
What is the InChIKey of 2-methyl-1,3-oxathiane?
The InChIKey is VKZBKCJAWXBYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10OS/c1-5-6-3-2-4-7-5/h5H,2-4H2,1H3.
What are the key properties of 2-methyl-1,3-oxathiane?
2-methyl-1,3-oxathiane has a molecular weight of 118.20 g/mol, XLogP of 1.49, 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-oxathiane is sourced from PubChem (CID 542685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).