2-ethyl-3-methylcyclopent-2-ene-1-thione

C8H12S — CID 562689

IUPAC2-ethyl-3-methylcyclopent-2-ene-1-thione
SMILESCCC1=C(C)CCC1=S
InChIInChI=1S/C8H12S/c1-3-7-6(2)4-5-8(7)9/h3-5H2,1-2H3
InChIKeyIABIFZNZAYHYCM-UHFFFAOYSA-N
MW140.25 g/mol
LogP2.88
Rot. Bonds1

About 2-ethyl-3-methylcyclopent-2-ene-1-thione

2-ethyl-3-methylcyclopent-2-ene-1-thione (PubChem CID 562689) has the molecular formula C8H12S and a molecular weight of 140.25 g/mol. Its IUPAC name is 2-ethyl-3-methylcyclopent-2-ene-1-thione.

Molecular Properties

Compound Name2-ethyl-3-methylcyclopent-2-ene-1-thione
PubChem CID562689
Molecular FormulaC8H12S
Molecular Weight140.25 g/mol
Exact Mass140.07
IUPAC Name2-ethyl-3-methylcyclopent-2-ene-1-thione
SMILESCCC1=C(C)CCC1=S
InChIInChI=1S/C8H12S/c1-3-7-6(2)4-5-8(7)9/h3-5H2,1-2H3
InChIKeyIABIFZNZAYHYCM-UHFFFAOYSA-N
XLogP2.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.25
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-methylcyclopent-2-ene-1-thione?
The IUPAC name of 2-ethyl-3-methylcyclopent-2-ene-1-thione (CID 562689) is 2-ethyl-3-methylcyclopent-2-ene-1-thione.
What is the SMILES notation for 2-ethyl-3-methylcyclopent-2-ene-1-thione?
The canonical SMILES for 2-ethyl-3-methylcyclopent-2-ene-1-thione is CCC1=C(C)CCC1=S.
What is the InChIKey of 2-ethyl-3-methylcyclopent-2-ene-1-thione?
The InChIKey is IABIFZNZAYHYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12S/c1-3-7-6(2)4-5-8(7)9/h3-5H2,1-2H3.
What are the key properties of 2-ethyl-3-methylcyclopent-2-ene-1-thione?
2-ethyl-3-methylcyclopent-2-ene-1-thione has a molecular weight of 140.25 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-methylcyclopent-2-ene-1-thione is sourced from PubChem (CID 562689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).