4-ethyl-4-methylthiane

C8H16S — CID 59452376

IUPAC4-ethyl-4-methylthiane
SMILESCCC1(C)CCSCC1
InChIInChI=1S/C8H16S/c1-3-8(2)4-6-9-7-5-8/h3-7H2,1-2H3
InChIKeyYMZCGWYLQGHHMX-UHFFFAOYSA-N
MW144.28 g/mol
LogP2.93
Rot. Bonds1

About 4-ethyl-4-methylthiane

4-ethyl-4-methylthiane (PubChem CID 59452376) has the molecular formula C8H16S and a molecular weight of 144.28 g/mol. Its IUPAC name is 4-ethyl-4-methylthiane.

Molecular Properties

Compound Name4-ethyl-4-methylthiane
PubChem CID59452376
Molecular FormulaC8H16S
Molecular Weight144.28 g/mol
Exact Mass144.10
IUPAC Name4-ethyl-4-methylthiane
SMILESCCC1(C)CCSCC1
InChIInChI=1S/C8H16S/c1-3-8(2)4-6-9-7-5-8/h3-7H2,1-2H3
InChIKeyYMZCGWYLQGHHMX-UHFFFAOYSA-N
XLogP2.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.28
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-ethyl-4-methylthiane 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 4-ethyl-4-methylthiane?
The IUPAC name of 4-ethyl-4-methylthiane (CID 59452376) is 4-ethyl-4-methylthiane.
What is the SMILES notation for 4-ethyl-4-methylthiane?
The canonical SMILES for 4-ethyl-4-methylthiane is CCC1(C)CCSCC1.
What is the InChIKey of 4-ethyl-4-methylthiane?
The InChIKey is YMZCGWYLQGHHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16S/c1-3-8(2)4-6-9-7-5-8/h3-7H2,1-2H3.
What are the key properties of 4-ethyl-4-methylthiane?
4-ethyl-4-methylthiane has a molecular weight of 144.28 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-methylthiane is sourced from PubChem (CID 59452376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).