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

C5H10O2S — CID 58183654

IUPAC2-methyl-1,4-oxathian-3-ol
SMILESCC1OCCSC1O
InChIInChI=1S/C5H10O2S/c1-4-5(6)8-3-2-7-4/h4-6H,2-3H2,1H3
InChIKeyILGIZYARSYROLV-UHFFFAOYSA-N
MW134.20 g/mol
LogP0.46
Rot. Bonds

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

2-methyl-1,4-oxathian-3-ol (PubChem CID 58183654) has the molecular formula C5H10O2S and a molecular weight of 134.20 g/mol. Its IUPAC name is 2-methyl-1,4-oxathian-3-ol.

Molecular Properties

Compound Name2-methyl-1,4-oxathian-3-ol
PubChem CID58183654
Molecular FormulaC5H10O2S
Molecular Weight134.20 g/mol
Exact Mass134.04
IUPAC Name2-methyl-1,4-oxathian-3-ol
SMILESCC1OCCSC1O
InChIInChI=1S/C5H10O2S/c1-4-5(6)8-3-2-7-4/h4-6H,2-3H2,1H3
InChIKeyILGIZYARSYROLV-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 2-methyl-1,4-oxathian-3-ol?
The IUPAC name of 2-methyl-1,4-oxathian-3-ol (CID 58183654) is 2-methyl-1,4-oxathian-3-ol.
What is the SMILES notation for 2-methyl-1,4-oxathian-3-ol?
The canonical SMILES for 2-methyl-1,4-oxathian-3-ol is CC1OCCSC1O.
What is the InChIKey of 2-methyl-1,4-oxathian-3-ol?
The InChIKey is ILGIZYARSYROLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2S/c1-4-5(6)8-3-2-7-4/h4-6H,2-3H2,1H3.
What are the key properties of 2-methyl-1,4-oxathian-3-ol?
2-methyl-1,4-oxathian-3-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 2-methyl-1,4-oxathian-3-ol is sourced from PubChem (CID 58183654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).