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

C6H12OS — CID 144930351

IUPAC2,3-dihydro-1,4-oxathiine;ethane
SMILESC1=CSCCO1.CC
InChIInChI=1S/C4H6OS.C2H6/c1-3-6-4-2-5-1;1-2/h1,3H,2,4H2;1-2H3
InChIKeyDPANELPZGPSVGD-UHFFFAOYSA-N
MW132.23 g/mol
LogP2.25
Rot. Bonds

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

2,3-dihydro-1,4-oxathiine;ethane (PubChem CID 144930351) has the molecular formula C6H12OS and a molecular weight of 132.23 g/mol. Its IUPAC name is 2,3-dihydro-1,4-oxathiine;ethane.

Molecular Properties

Compound Name2,3-dihydro-1,4-oxathiine;ethane
PubChem CID144930351
Molecular FormulaC6H12OS
Molecular Weight132.23 g/mol
Exact Mass132.06
IUPAC Name2,3-dihydro-1,4-oxathiine;ethane
SMILESC1=CSCCO1.CC
InChIInChI=1S/C4H6OS.C2H6/c1-3-6-4-2-5-1;1-2/h1,3H,2,4H2;1-2H3
InChIKeyDPANELPZGPSVGD-UHFFFAOYSA-N
XLogP2.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-oxathiine;ethane?
The IUPAC name of 2,3-dihydro-1,4-oxathiine;ethane (CID 144930351) is 2,3-dihydro-1,4-oxathiine;ethane.
What is the SMILES notation for 2,3-dihydro-1,4-oxathiine;ethane?
The canonical SMILES for 2,3-dihydro-1,4-oxathiine;ethane is C1=CSCCO1.CC.
What is the InChIKey of 2,3-dihydro-1,4-oxathiine;ethane?
The InChIKey is DPANELPZGPSVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6OS.C2H6/c1-3-6-4-2-5-1;1-2/h1,3H,2,4H2;1-2H3.
What are the key properties of 2,3-dihydro-1,4-oxathiine;ethane?
2,3-dihydro-1,4-oxathiine;ethane has a molecular weight of 132.23 g/mol, XLogP of 2.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-oxathiine;ethane is sourced from PubChem (CID 144930351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).