ethanol;thiane

C12H26OS2 — CID 69498055

IUPACethanol;thiane
SMILESC1CCSCC1.C1CCSCC1.CCO
InChIInChI=1S/2C5H10S.C2H6O/c2*1-2-4-6-5-3-1;1-2-3/h2*1-5H2;3H,2H2,1H3
InChIKeyVWYFELCVTKJNFR-UHFFFAOYSA-N
MW250.47 g/mol
LogP3.81
Rot. Bonds

About ethanol;thiane

ethanol;thiane (PubChem CID 69498055) has the molecular formula C12H26OS2 and a molecular weight of 250.47 g/mol. Its IUPAC name is ethanol;thiane.

Molecular Properties

Compound Nameethanol;thiane
PubChem CID69498055
Molecular FormulaC12H26OS2
Molecular Weight250.47 g/mol
Exact Mass250.14
IUPAC Nameethanol;thiane
SMILESC1CCSCC1.C1CCSCC1.CCO
InChIInChI=1S/2C5H10S.C2H6O/c2*1-2-4-6-5-3-1;1-2-3/h2*1-5H2;3H,2H2,1H3
InChIKeyVWYFELCVTKJNFR-UHFFFAOYSA-N
XLogP3.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.47
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethanol;thiane 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 ethanol;thiane?
The IUPAC name of ethanol;thiane (CID 69498055) is ethanol;thiane.
What is the SMILES notation for ethanol;thiane?
The canonical SMILES for ethanol;thiane is C1CCSCC1.C1CCSCC1.CCO.
What is the InChIKey of ethanol;thiane?
The InChIKey is VWYFELCVTKJNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H10S.C2H6O/c2*1-2-4-6-5-3-1;1-2-3/h2*1-5H2;3H,2H2,1H3.
What are the key properties of ethanol;thiane?
ethanol;thiane has a molecular weight of 250.47 g/mol, XLogP of 3.81, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;thiane is sourced from PubChem (CID 69498055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).