6-methyl-2,3-dihydro-1,4-oxathiine 4-oxide

C5H8O2S — CID 15073789

IUPAC6-methyl-2,3-dihydro-1,4-oxathiine 4-oxide
SMILESCC1=CS(=O)CCO1
InChIInChI=1S/C5H8O2S/c1-5-4-8(6)3-2-7-5/h4H,2-3H2,1H3
InChIKeyPNXOSYVTGBMNCM-UHFFFAOYSA-N
MW132.18 g/mol
LogP0.63
Rot. Bonds

About 6-methyl-2,3-dihydro-1,4-oxathiine 4-oxide

6-methyl-2,3-dihydro-1,4-oxathiine 4-oxide (PubChem CID 15073789) has the molecular formula C5H8O2S and a molecular weight of 132.18 g/mol. Its IUPAC name is 6-methyl-2,3-dihydro-1,4-oxathiine 4-oxide.

Molecular Properties

Compound Name6-methyl-2,3-dihydro-1,4-oxathiine 4-oxide
PubChem CID15073789
Molecular FormulaC5H8O2S
Molecular Weight132.18 g/mol
Exact Mass132.02
IUPAC Name6-methyl-2,3-dihydro-1,4-oxathiine 4-oxide
SMILESCC1=CS(=O)CCO1
InChIInChI=1S/C5H8O2S/c1-5-4-8(6)3-2-7-5/h4H,2-3H2,1H3
InChIKeyPNXOSYVTGBMNCM-UHFFFAOYSA-N
XLogP0.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-5,6-dihydro-1,4-oxathiine
CID 253768
5,6-Dimethyl-2,3-dihydro-1,4-oxathiine 4-oxide
CID 15073790
InChI=1/C5H8O3S/c1-5-4-9(6,7)3-2-8-5/h4H,2-3H2,1H
CID 15939947
3,6-Dimethyl-2,3-dihydro-1,4-oxathiine
CID 58183536
2-(2-Methylsulfanylethoxy)prop-1-ene
CID 117828130
2-Ethoxy-3-methylsulfonylbut-1-ene
CID 123567053
4,4-Dihydroxy-6-methyl-2,3-dihydro-1,4-oxathiine
CID 144169693
Ethane;6-methyl-2,3-dihydro-1,4-oxathiine
CID 177148088
3-propan-2-yloxy-2H-thiete 1,1-dioxide
CID 13168989
(E)-2-ethoxy-1-ethylsulfanylprop-1-ene
CID 21600409
(2R)-2-ethoxy-6-methyl-2,3-dihydro-1,4-oxathiine 4-oxide
CID 101712631
(2S)-2-ethoxy-6-methyl-2,3-dihydro-1,4-oxathiine 4-oxide
CID 101712637

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2,3-dihydro-1,4-oxathiine 4-oxide?
The IUPAC name of 6-methyl-2,3-dihydro-1,4-oxathiine 4-oxide (CID 15073789) is 6-methyl-2,3-dihydro-1,4-oxathiine 4-oxide.
What is the SMILES notation for 6-methyl-2,3-dihydro-1,4-oxathiine 4-oxide?
The canonical SMILES for 6-methyl-2,3-dihydro-1,4-oxathiine 4-oxide is CC1=CS(=O)CCO1.
What is the InChIKey of 6-methyl-2,3-dihydro-1,4-oxathiine 4-oxide?
The InChIKey is PNXOSYVTGBMNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2S/c1-5-4-8(6)3-2-7-5/h4H,2-3H2,1H3.
What are the key properties of 6-methyl-2,3-dihydro-1,4-oxathiine 4-oxide?
6-methyl-2,3-dihydro-1,4-oxathiine 4-oxide has a molecular weight of 132.18 g/mol, XLogP of 0.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2,3-dihydro-1,4-oxathiine 4-oxide is sourced from PubChem (CID 15073789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).