3-ethylsulfanylcyclopropene

C5H8S — CID 89235115

IUPAC3-ethylsulfanylcyclopropene
SMILESCCSC1C=C1
InChIInChI=1S/C5H8S/c1-2-6-5-3-4-5/h3-5H,2H2,1H3
InChIKeyMTBKRVRCCXLIHF-UHFFFAOYSA-N
MW100.19 g/mol
LogP1.68
Rot. Bonds2

About 3-ethylsulfanylcyclopropene

3-ethylsulfanylcyclopropene (PubChem CID 89235115) has the molecular formula C5H8S and a molecular weight of 100.19 g/mol. Its IUPAC name is 3-ethylsulfanylcyclopropene.

Molecular Properties

Compound Name3-ethylsulfanylcyclopropene
PubChem CID89235115
Molecular FormulaC5H8S
Molecular Weight100.19 g/mol
Exact Mass100.03
IUPAC Name3-ethylsulfanylcyclopropene
SMILESCCSC1C=C1
InChIInChI=1S/C5H8S/c1-2-6-5-3-4-5/h3-5H,2H2,1H3
InChIKeyMTBKRVRCCXLIHF-UHFFFAOYSA-N
XLogP1.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.19
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-ethylsulfanylcyclopropene 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 3-ethylsulfanylcyclopropene?
The IUPAC name of 3-ethylsulfanylcyclopropene (CID 89235115) is 3-ethylsulfanylcyclopropene.
What is the SMILES notation for 3-ethylsulfanylcyclopropene?
The canonical SMILES for 3-ethylsulfanylcyclopropene is CCSC1C=C1.
What is the InChIKey of 3-ethylsulfanylcyclopropene?
The InChIKey is MTBKRVRCCXLIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8S/c1-2-6-5-3-4-5/h3-5H,2H2,1H3.
What are the key properties of 3-ethylsulfanylcyclopropene?
3-ethylsulfanylcyclopropene has a molecular weight of 100.19 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanylcyclopropene is sourced from PubChem (CID 89235115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).