3-methyl-1,4-oxathian-2-ol

C5H10O2S — CID 58183535

IUPAC3-methyl-1,4-oxathian-2-ol
SMILESCC1SCCOC1O
InChIInChI=1S/C5H10O2S/c1-4-5(6)7-2-3-8-4/h4-6H,2-3H2,1H3
InChIKeyGIGOWWRPVHTNCY-UHFFFAOYSA-N
MW134.20 g/mol
LogP0.46
Rot. Bonds

About 3-methyl-1,4-oxathian-2-ol

3-methyl-1,4-oxathian-2-ol (PubChem CID 58183535) has the molecular formula C5H10O2S and a molecular weight of 134.20 g/mol. Its IUPAC name is 3-methyl-1,4-oxathian-2-ol.

Molecular Properties

Compound Name3-methyl-1,4-oxathian-2-ol
PubChem CID58183535
Molecular FormulaC5H10O2S
Molecular Weight134.20 g/mol
Exact Mass134.04
IUPAC Name3-methyl-1,4-oxathian-2-ol
SMILESCC1SCCOC1O
InChIInChI=1S/C5H10O2S/c1-4-5(6)7-2-3-8-4/h4-6H,2-3H2,1H3
InChIKeyGIGOWWRPVHTNCY-UHFFFAOYSA-N
XLogP0.46
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.20
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,4-oxathian-2-ol?
The IUPAC name of 3-methyl-1,4-oxathian-2-ol (CID 58183535) is 3-methyl-1,4-oxathian-2-ol.
What is the SMILES notation for 3-methyl-1,4-oxathian-2-ol?
The canonical SMILES for 3-methyl-1,4-oxathian-2-ol is CC1SCCOC1O.
What is the InChIKey of 3-methyl-1,4-oxathian-2-ol?
The InChIKey is GIGOWWRPVHTNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2S/c1-4-5(6)7-2-3-8-4/h4-6H,2-3H2,1H3.
What are the key properties of 3-methyl-1,4-oxathian-2-ol?
3-methyl-1,4-oxathian-2-ol has a molecular weight of 134.20 g/mol, XLogP of 0.46, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,4-oxathian-2-ol is sourced from PubChem (CID 58183535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).