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

C5H8OS — CID 12602857

IUPAC5-methyl-2,3-dihydro-1,4-oxathiine
SMILESCC1=COCCS1
InChIInChI=1S/C5H8OS/c1-5-4-6-2-3-7-5/h4H,2-3H2,1H3
InChIKeyYUIJUBZQSOMXIC-UHFFFAOYSA-N
MW116.18 g/mol
LogP1.61
Rot. Bonds

About 5-methyl-2,3-dihydro-1,4-oxathiine

5-methyl-2,3-dihydro-1,4-oxathiine (PubChem CID 12602857) has the molecular formula C5H8OS and a molecular weight of 116.18 g/mol. Its IUPAC name is 5-methyl-2,3-dihydro-1,4-oxathiine.

Molecular Properties

Compound Name5-methyl-2,3-dihydro-1,4-oxathiine
PubChem CID12602857
Molecular FormulaC5H8OS
Molecular Weight116.18 g/mol
Exact Mass116.03
IUPAC Name5-methyl-2,3-dihydro-1,4-oxathiine
SMILESCC1=COCCS1
InChIInChI=1S/C5H8OS/c1-5-4-6-2-3-7-5/h4H,2-3H2,1H3
InChIKeyYUIJUBZQSOMXIC-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 5-methyl-2,3-dihydro-1,4-oxathiine?
The IUPAC name of 5-methyl-2,3-dihydro-1,4-oxathiine (CID 12602857) is 5-methyl-2,3-dihydro-1,4-oxathiine.
What is the SMILES notation for 5-methyl-2,3-dihydro-1,4-oxathiine?
The canonical SMILES for 5-methyl-2,3-dihydro-1,4-oxathiine is CC1=COCCS1.
What is the InChIKey of 5-methyl-2,3-dihydro-1,4-oxathiine?
The InChIKey is YUIJUBZQSOMXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8OS/c1-5-4-6-2-3-7-5/h4H,2-3H2,1H3.
What are the key properties of 5-methyl-2,3-dihydro-1,4-oxathiine?
5-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 5-methyl-2,3-dihydro-1,4-oxathiine is sourced from PubChem (CID 12602857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).