2-methyl-1,3-oxathiolan-5-ol

C4H8O2S — CID 20744765

IUPAC2-methyl-1,3-oxathiolan-5-ol
SMILESCC1OC(O)CS1
InChIInChI=1S/C4H8O2S/c1-3-6-4(5)2-7-3/h3-5H,2H2,1H3
InChIKeyKYTLMGUUWNMSJM-UHFFFAOYSA-N
MW120.17 g/mol
LogP0.41
Rot. Bonds

About 2-methyl-1,3-oxathiolan-5-ol

2-methyl-1,3-oxathiolan-5-ol (PubChem CID 20744765) has the molecular formula C4H8O2S and a molecular weight of 120.17 g/mol. Its IUPAC name is 2-methyl-1,3-oxathiolan-5-ol.

Molecular Properties

Compound Name2-methyl-1,3-oxathiolan-5-ol
PubChem CID20744765
Molecular FormulaC4H8O2S
Molecular Weight120.17 g/mol
Exact Mass120.02
IUPAC Name2-methyl-1,3-oxathiolan-5-ol
SMILESCC1OC(O)CS1
InChIInChI=1S/C4H8O2S/c1-3-6-4(5)2-7-3/h3-5H,2H2,1H3
InChIKeyKYTLMGUUWNMSJM-UHFFFAOYSA-N
XLogP0.41
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.17
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-1,3-oxathiolan-5-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3-oxathiolan-5-ol?
The IUPAC name of 2-methyl-1,3-oxathiolan-5-ol (CID 20744765) is 2-methyl-1,3-oxathiolan-5-ol.
What is the SMILES notation for 2-methyl-1,3-oxathiolan-5-ol?
The canonical SMILES for 2-methyl-1,3-oxathiolan-5-ol is CC1OC(O)CS1.
What is the InChIKey of 2-methyl-1,3-oxathiolan-5-ol?
The InChIKey is KYTLMGUUWNMSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2S/c1-3-6-4(5)2-7-3/h3-5H,2H2,1H3.
What are the key properties of 2-methyl-1,3-oxathiolan-5-ol?
2-methyl-1,3-oxathiolan-5-ol has a molecular weight of 120.17 g/mol, XLogP of 0.41, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3-oxathiolan-5-ol is sourced from PubChem (CID 20744765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).