2-ethyl-3-propyl-2H-thiete

C8H14S — CID 134934533

IUPAC2-ethyl-3-propyl-2H-thiete
SMILESCCCC1=CSC1CC
InChIInChI=1S/C8H14S/c1-3-5-7-6-9-8(7)4-2/h6,8H,3-5H2,1-2H3
InChIKeyQTOHAHANWDRWRB-UHFFFAOYSA-N
MW142.27 g/mol
LogP3.20
Rot. Bonds3

About 2-ethyl-3-propyl-2H-thiete

2-ethyl-3-propyl-2H-thiete (PubChem CID 134934533) has the molecular formula C8H14S and a molecular weight of 142.27 g/mol. Its IUPAC name is 2-ethyl-3-propyl-2H-thiete.

Molecular Properties

Compound Name2-ethyl-3-propyl-2H-thiete
PubChem CID134934533
Molecular FormulaC8H14S
Molecular Weight142.27 g/mol
Exact Mass142.08
IUPAC Name2-ethyl-3-propyl-2H-thiete
SMILESCCCC1=CSC1CC
InChIInChI=1S/C8H14S/c1-3-5-7-6-9-8(7)4-2/h6,8H,3-5H2,1-2H3
InChIKeyQTOHAHANWDRWRB-UHFFFAOYSA-N
XLogP3.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.27
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-ethyl-3-propyl-2H-thiete 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-ethyl-3-propyl-2H-thiete?
The IUPAC name of 2-ethyl-3-propyl-2H-thiete (CID 134934533) is 2-ethyl-3-propyl-2H-thiete.
What is the SMILES notation for 2-ethyl-3-propyl-2H-thiete?
The canonical SMILES for 2-ethyl-3-propyl-2H-thiete is CCCC1=CSC1CC.
What is the InChIKey of 2-ethyl-3-propyl-2H-thiete?
The InChIKey is QTOHAHANWDRWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14S/c1-3-5-7-6-9-8(7)4-2/h6,8H,3-5H2,1-2H3.
What are the key properties of 2-ethyl-3-propyl-2H-thiete?
2-ethyl-3-propyl-2H-thiete has a molecular weight of 142.27 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-propyl-2H-thiete is sourced from PubChem (CID 134934533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).