2-methyl-3-(oxan-4-yl)thiolan-3-ol

C10H18O2S — CID 83819553

IUPAC2-methyl-3-(oxan-4-yl)thiolan-3-ol
SMILESCC1SCCC1(O)C1CCOCC1
InChIInChI=1S/C10H18O2S/c1-8-10(11,4-7-13-8)9-2-5-12-6-3-9/h8-9,11H,2-7H2,1H3
InChIKeyPWXGGSXFXSJRHL-UHFFFAOYSA-N
MW202.32 g/mol
LogP1.67
Rot. Bonds1

About 2-methyl-3-(oxan-4-yl)thiolan-3-ol

2-methyl-3-(oxan-4-yl)thiolan-3-ol (PubChem CID 83819553) has the molecular formula C10H18O2S and a molecular weight of 202.32 g/mol. Its IUPAC name is 2-methyl-3-(oxan-4-yl)thiolan-3-ol.

Molecular Properties

Compound Name2-methyl-3-(oxan-4-yl)thiolan-3-ol
PubChem CID83819553
Molecular FormulaC10H18O2S
Molecular Weight202.32 g/mol
Exact Mass202.10
IUPAC Name2-methyl-3-(oxan-4-yl)thiolan-3-ol
SMILESCC1SCCC1(O)C1CCOCC1
InChIInChI=1S/C10H18O2S/c1-8-10(11,4-7-13-8)9-2-5-12-6-3-9/h8-9,11H,2-7H2,1H3
InChIKeyPWXGGSXFXSJRHL-UHFFFAOYSA-N
XLogP1.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(oxan-4-yl)thiolan-3-ol?
The IUPAC name of 2-methyl-3-(oxan-4-yl)thiolan-3-ol (CID 83819553) is 2-methyl-3-(oxan-4-yl)thiolan-3-ol.
What is the SMILES notation for 2-methyl-3-(oxan-4-yl)thiolan-3-ol?
The canonical SMILES for 2-methyl-3-(oxan-4-yl)thiolan-3-ol is CC1SCCC1(O)C1CCOCC1.
What is the InChIKey of 2-methyl-3-(oxan-4-yl)thiolan-3-ol?
The InChIKey is PWXGGSXFXSJRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2S/c1-8-10(11,4-7-13-8)9-2-5-12-6-3-9/h8-9,11H,2-7H2,1H3.
What are the key properties of 2-methyl-3-(oxan-4-yl)thiolan-3-ol?
2-methyl-3-(oxan-4-yl)thiolan-3-ol has a molecular weight of 202.32 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(oxan-4-yl)thiolan-3-ol is sourced from PubChem (CID 83819553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).