ethane;6-methyl-2,3-dihydro-1,4-oxathiine

C7H14OS — CID 177148088

IUPACethane;6-methyl-2,3-dihydro-1,4-oxathiine
SMILESCC.CC1=CSCCO1
InChIInChI=1S/C5H8OS.C2H6/c1-5-4-7-3-2-6-5;1-2/h4H,2-3H2,1H3;1-2H3
InChIKeyAIKJJWPSJSSNHF-UHFFFAOYSA-N
MW146.25 g/mol
LogP2.64
Rot. Bonds

About ethane;6-methyl-2,3-dihydro-1,4-oxathiine

ethane;6-methyl-2,3-dihydro-1,4-oxathiine (PubChem CID 177148088) has the molecular formula C7H14OS and a molecular weight of 146.25 g/mol. Its IUPAC name is ethane;6-methyl-2,3-dihydro-1,4-oxathiine.

Molecular Properties

Compound Nameethane;6-methyl-2,3-dihydro-1,4-oxathiine
PubChem CID177148088
Molecular FormulaC7H14OS
Molecular Weight146.25 g/mol
Exact Mass146.08
IUPAC Nameethane;6-methyl-2,3-dihydro-1,4-oxathiine
SMILESCC.CC1=CSCCO1
InChIInChI=1S/C5H8OS.C2H6/c1-5-4-7-3-2-6-5;1-2/h4H,2-3H2,1H3;1-2H3
InChIKeyAIKJJWPSJSSNHF-UHFFFAOYSA-N
XLogP2.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.25
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;6-methyl-2,3-dihydro-1,4-oxathiine?
The IUPAC name of ethane;6-methyl-2,3-dihydro-1,4-oxathiine (CID 177148088) is ethane;6-methyl-2,3-dihydro-1,4-oxathiine.
What is the SMILES notation for ethane;6-methyl-2,3-dihydro-1,4-oxathiine?
The canonical SMILES for ethane;6-methyl-2,3-dihydro-1,4-oxathiine is CC.CC1=CSCCO1.
What is the InChIKey of ethane;6-methyl-2,3-dihydro-1,4-oxathiine?
The InChIKey is AIKJJWPSJSSNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8OS.C2H6/c1-5-4-7-3-2-6-5;1-2/h4H,2-3H2,1H3;1-2H3.
What are the key properties of ethane;6-methyl-2,3-dihydro-1,4-oxathiine?
ethane;6-methyl-2,3-dihydro-1,4-oxathiine has a molecular weight of 146.25 g/mol, XLogP of 2.64, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methyl-2,3-dihydro-1,4-oxathiine is sourced from PubChem (CID 177148088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).