2-methyl-4-thiophen-3-yloxan-4-ol

C10H14O2S — CID 18996129

IUPAC2-methyl-4-thiophen-3-yloxan-4-ol
SMILESCC1CC(O)(c2ccsc2)CCO1
InChIInChI=1S/C10H14O2S/c1-8-6-10(11,3-4-12-8)9-2-5-13-7-9/h2,5,7-8,11H,3-4,6H2,1H3
InChIKeyKFBBJSDSDPYLQW-UHFFFAOYSA-N
MW198.29 g/mol
LogP2.13
Rot. Bonds1

About 2-methyl-4-thiophen-3-yloxan-4-ol

2-methyl-4-thiophen-3-yloxan-4-ol (PubChem CID 18996129) has the molecular formula C10H14O2S and a molecular weight of 198.29 g/mol. Its IUPAC name is 2-methyl-4-thiophen-3-yloxan-4-ol.

Molecular Properties

Compound Name2-methyl-4-thiophen-3-yloxan-4-ol
PubChem CID18996129
Molecular FormulaC10H14O2S
Molecular Weight198.29 g/mol
Exact Mass198.07
IUPAC Name2-methyl-4-thiophen-3-yloxan-4-ol
SMILESCC1CC(O)(c2ccsc2)CCO1
InChIInChI=1S/C10H14O2S/c1-8-6-10(11,3-4-12-8)9-2-5-13-7-9/h2,5,7-8,11H,3-4,6H2,1H3
InChIKeyKFBBJSDSDPYLQW-UHFFFAOYSA-N
XLogP2.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-4-thiophen-3-yloxan-4-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-4-thiophen-3-yloxan-4-ol?
The IUPAC name of 2-methyl-4-thiophen-3-yloxan-4-ol (CID 18996129) is 2-methyl-4-thiophen-3-yloxan-4-ol.
What is the SMILES notation for 2-methyl-4-thiophen-3-yloxan-4-ol?
The canonical SMILES for 2-methyl-4-thiophen-3-yloxan-4-ol is CC1CC(O)(c2ccsc2)CCO1.
What is the InChIKey of 2-methyl-4-thiophen-3-yloxan-4-ol?
The InChIKey is KFBBJSDSDPYLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2S/c1-8-6-10(11,3-4-12-8)9-2-5-13-7-9/h2,5,7-8,11H,3-4,6H2,1H3.
What are the key properties of 2-methyl-4-thiophen-3-yloxan-4-ol?
2-methyl-4-thiophen-3-yloxan-4-ol has a molecular weight of 198.29 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-thiophen-3-yloxan-4-ol is sourced from PubChem (CID 18996129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).