3-methyl-2,3-dihydro-1,4-oxathiine

C5H8OS — CID 58183442

IUPAC3-methyl-2,3-dihydro-1,4-oxathiine
SMILESCC1COC=CS1
InChIInChI=1S/C5H8OS/c1-5-4-6-2-3-7-5/h2-3,5H,4H2,1H3
InChIKeyFLKDHMZQAWGOPS-UHFFFAOYSA-N
MW116.18 g/mol
LogP1.61
Rot. Bonds

About 3-methyl-2,3-dihydro-1,4-oxathiine

3-methyl-2,3-dihydro-1,4-oxathiine (PubChem CID 58183442) has the molecular formula C5H8OS and a molecular weight of 116.18 g/mol. Its IUPAC name is 3-methyl-2,3-dihydro-1,4-oxathiine.

Molecular Properties

Compound Name3-methyl-2,3-dihydro-1,4-oxathiine
PubChem CID58183442
Molecular FormulaC5H8OS
Molecular Weight116.18 g/mol
Exact Mass116.03
IUPAC Name3-methyl-2,3-dihydro-1,4-oxathiine
SMILESCC1COC=CS1
InChIInChI=1S/C5H8OS/c1-5-4-6-2-3-7-5/h2-3,5H,4H2,1H3
InChIKeyFLKDHMZQAWGOPS-UHFFFAOYSA-N
XLogP1.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.18
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,3-dihydro-1,4-oxathiine?
The IUPAC name of 3-methyl-2,3-dihydro-1,4-oxathiine (CID 58183442) is 3-methyl-2,3-dihydro-1,4-oxathiine.
What is the SMILES notation for 3-methyl-2,3-dihydro-1,4-oxathiine?
The canonical SMILES for 3-methyl-2,3-dihydro-1,4-oxathiine is CC1COC=CS1.
What is the InChIKey of 3-methyl-2,3-dihydro-1,4-oxathiine?
The InChIKey is FLKDHMZQAWGOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8OS/c1-5-4-6-2-3-7-5/h2-3,5H,4H2,1H3.
What are the key properties of 3-methyl-2,3-dihydro-1,4-oxathiine?
3-methyl-2,3-dihydro-1,4-oxathiine has a molecular weight of 116.18 g/mol, XLogP of 1.61, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,3-dihydro-1,4-oxathiine is sourced from PubChem (CID 58183442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).