ethane;4H-1,3-oxathiine

C6H12OS — CID 142173991

IUPACethane;4H-1,3-oxathiine
SMILESC1=COCSC1.CC
InChIInChI=1S/C4H6OS.C2H6/c1-2-5-4-6-3-1;1-2/h1-2H,3-4H2;1-2H3
InChIKeyDFXWQWQPMKDMNB-UHFFFAOYSA-N
MW132.23 g/mol
LogP2.25
Rot. Bonds

About ethane;4H-1,3-oxathiine

ethane;4H-1,3-oxathiine (PubChem CID 142173991) has the molecular formula C6H12OS and a molecular weight of 132.23 g/mol. Its IUPAC name is ethane;4H-1,3-oxathiine.

Molecular Properties

Compound Nameethane;4H-1,3-oxathiine
PubChem CID142173991
Molecular FormulaC6H12OS
Molecular Weight132.23 g/mol
Exact Mass132.06
IUPAC Nameethane;4H-1,3-oxathiine
SMILESC1=COCSC1.CC
InChIInChI=1S/C4H6OS.C2H6/c1-2-5-4-6-3-1;1-2/h1-2H,3-4H2;1-2H3
InChIKeyDFXWQWQPMKDMNB-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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Related Compounds

5-Methyl-2,3-dihydro-1,4-oxathiine
CID 12602857
4H-1,3-Oxathiin
CID 19991511
3-Methyl-2,3-dihydro-1,4-oxathiine
CID 58183442
(1E,3Z)-1-methoxy-4-methylsulfanylbuta-1,3-diene
CID 102331103
2,3-Dihydropyranyl methyl sulfide
CID 129671345
Ethoxyvinylthiirane
CID 129793083
(Z)-1-ethoxy-1-ethylsulfanylprop-1-ene
CID 134987287
3-(2-Ethenoxyethylsulfanyl)prop-1-ene
CID 18539675
5H-1,4-oxathiepine
CID 20471274
3-Ethyl-1,4-oxathiine
CID 57188038
2-(Prop-1-enoxymethyl)thiirane
CID 57240713
3-Methyl-1,4-oxathiine
CID 57276530

Frequently Asked Questions

What is the IUPAC name of ethane;4H-1,3-oxathiine?
The IUPAC name of ethane;4H-1,3-oxathiine (CID 142173991) is ethane;4H-1,3-oxathiine.
What is the SMILES notation for ethane;4H-1,3-oxathiine?
The canonical SMILES for ethane;4H-1,3-oxathiine is C1=COCSC1.CC.
What is the InChIKey of ethane;4H-1,3-oxathiine?
The InChIKey is DFXWQWQPMKDMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6OS.C2H6/c1-2-5-4-6-3-1;1-2/h1-2H,3-4H2;1-2H3.
What are the key properties of ethane;4H-1,3-oxathiine?
ethane;4H-1,3-oxathiine 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 ethane;4H-1,3-oxathiine is sourced from PubChem (CID 142173991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).