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

C7H12OS — CID 14090506

IUPAC6-ethyl-5-methyl-2,3-dihydro-1,4-oxathiine
SMILESCCC1=C(C)SCCO1
InChIInChI=1S/C7H12OS/c1-3-7-6(2)9-5-4-8-7/h3-5H2,1-2H3
InChIKeyLLUDCUAPAQCTFT-UHFFFAOYSA-N
MW144.24 g/mol
LogP2.39
Rot. Bonds1

About 6-ethyl-5-methyl-2,3-dihydro-1,4-oxathiine

6-ethyl-5-methyl-2,3-dihydro-1,4-oxathiine (PubChem CID 14090506) has the molecular formula C7H12OS and a molecular weight of 144.24 g/mol. Its IUPAC name is 6-ethyl-5-methyl-2,3-dihydro-1,4-oxathiine.

Molecular Properties

Compound Name6-ethyl-5-methyl-2,3-dihydro-1,4-oxathiine
PubChem CID14090506
Molecular FormulaC7H12OS
Molecular Weight144.24 g/mol
Exact Mass144.06
IUPAC Name6-ethyl-5-methyl-2,3-dihydro-1,4-oxathiine
SMILESCCC1=C(C)SCCO1
InChIInChI=1S/C7H12OS/c1-3-7-6(2)9-5-4-8-7/h3-5H2,1-2H3
InChIKeyLLUDCUAPAQCTFT-UHFFFAOYSA-N
XLogP2.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-methyl-2,3-dihydro-1,4-oxathiine?
The IUPAC name of 6-ethyl-5-methyl-2,3-dihydro-1,4-oxathiine (CID 14090506) is 6-ethyl-5-methyl-2,3-dihydro-1,4-oxathiine.
What is the SMILES notation for 6-ethyl-5-methyl-2,3-dihydro-1,4-oxathiine?
The canonical SMILES for 6-ethyl-5-methyl-2,3-dihydro-1,4-oxathiine is CCC1=C(C)SCCO1.
What is the InChIKey of 6-ethyl-5-methyl-2,3-dihydro-1,4-oxathiine?
The InChIKey is LLUDCUAPAQCTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12OS/c1-3-7-6(2)9-5-4-8-7/h3-5H2,1-2H3.
What are the key properties of 6-ethyl-5-methyl-2,3-dihydro-1,4-oxathiine?
6-ethyl-5-methyl-2,3-dihydro-1,4-oxathiine has a molecular weight of 144.24 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-methyl-2,3-dihydro-1,4-oxathiine is sourced from PubChem (CID 14090506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).