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

C6H10OS — CID 14168417

IUPAC6-ethyl-2,3-dihydro-1,4-oxathiine
SMILESCCC1=CSCCO1
InChIInChI=1S/C6H10OS/c1-2-6-5-8-4-3-7-6/h5H,2-4H2,1H3
InChIKeyGRXPPOOSRJZTFB-UHFFFAOYSA-N
MW130.21 g/mol
LogP2.00
Rot. Bonds1

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

6-ethyl-2,3-dihydro-1,4-oxathiine (PubChem CID 14168417) has the molecular formula C6H10OS and a molecular weight of 130.21 g/mol. Its IUPAC name is 6-ethyl-2,3-dihydro-1,4-oxathiine.

Molecular Properties

Compound Name6-ethyl-2,3-dihydro-1,4-oxathiine
PubChem CID14168417
Molecular FormulaC6H10OS
Molecular Weight130.21 g/mol
Exact Mass130.05
IUPAC Name6-ethyl-2,3-dihydro-1,4-oxathiine
SMILESCCC1=CSCCO1
InChIInChI=1S/C6H10OS/c1-2-6-5-8-4-3-7-6/h5H,2-4H2,1H3
InChIKeyGRXPPOOSRJZTFB-UHFFFAOYSA-N
XLogP2.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.21
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2,3-dihydro-1,4-oxathiine?
The IUPAC name of 6-ethyl-2,3-dihydro-1,4-oxathiine (CID 14168417) is 6-ethyl-2,3-dihydro-1,4-oxathiine.
What is the SMILES notation for 6-ethyl-2,3-dihydro-1,4-oxathiine?
The canonical SMILES for 6-ethyl-2,3-dihydro-1,4-oxathiine is CCC1=CSCCO1.
What is the InChIKey of 6-ethyl-2,3-dihydro-1,4-oxathiine?
The InChIKey is GRXPPOOSRJZTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10OS/c1-2-6-5-8-4-3-7-6/h5H,2-4H2,1H3.
What are the key properties of 6-ethyl-2,3-dihydro-1,4-oxathiine?
6-ethyl-2,3-dihydro-1,4-oxathiine has a molecular weight of 130.21 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2,3-dihydro-1,4-oxathiine is sourced from PubChem (CID 14168417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).