6-ethyl-2,3-dimethylthian-4-ol

C9H18OS — CID 3430060

IUPAC6-ethyl-2,3-dimethylthian-4-ol
SMILESCCC1CC(O)C(C)C(C)S1
InChIInChI=1S/C9H18OS/c1-4-8-5-9(10)6(2)7(3)11-8/h6-10H,4-5H2,1-3H3
InChIKeyXRMIWNBIATYIHB-UHFFFAOYSA-N
MW174.31 g/mol
LogP2.29
Rot. Bonds1

About 6-ethyl-2,3-dimethylthian-4-ol

6-ethyl-2,3-dimethylthian-4-ol (PubChem CID 3430060) has the molecular formula C9H18OS and a molecular weight of 174.31 g/mol. Its IUPAC name is 6-ethyl-2,3-dimethylthian-4-ol.

Molecular Properties

Compound Name6-ethyl-2,3-dimethylthian-4-ol
PubChem CID3430060
Molecular FormulaC9H18OS
Molecular Weight174.31 g/mol
Exact Mass174.11
IUPAC Name6-ethyl-2,3-dimethylthian-4-ol
SMILESCCC1CC(O)C(C)C(C)S1
InChIInChI=1S/C9H18OS/c1-4-8-5-9(10)6(2)7(3)11-8/h6-10H,4-5H2,1-3H3
InChIKeyXRMIWNBIATYIHB-UHFFFAOYSA-N
XLogP2.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.31
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-ethyl-2,3-dimethylthian-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 6-ethyl-2,3-dimethylthian-4-ol?
The IUPAC name of 6-ethyl-2,3-dimethylthian-4-ol (CID 3430060) is 6-ethyl-2,3-dimethylthian-4-ol.
What is the SMILES notation for 6-ethyl-2,3-dimethylthian-4-ol?
The canonical SMILES for 6-ethyl-2,3-dimethylthian-4-ol is CCC1CC(O)C(C)C(C)S1.
What is the InChIKey of 6-ethyl-2,3-dimethylthian-4-ol?
The InChIKey is XRMIWNBIATYIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18OS/c1-4-8-5-9(10)6(2)7(3)11-8/h6-10H,4-5H2,1-3H3.
What are the key properties of 6-ethyl-2,3-dimethylthian-4-ol?
6-ethyl-2,3-dimethylthian-4-ol has a molecular weight of 174.31 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2,3-dimethylthian-4-ol is sourced from PubChem (CID 3430060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).