3-cyclopentylprop-1-ene-1-thione

C8H12S — CID 123847206

IUPAC3-cyclopentylprop-1-ene-1-thione
SMILESS=C=CCC1CCCC1
InChIInChI=1S/C8H12S/c9-7-3-6-8-4-1-2-5-8/h3,8H,1-2,4-6H2
InChIKeyNEFKHHUVDGEFFZ-UHFFFAOYSA-N
MW140.25 g/mol
LogP2.72
Rot. Bonds2

About 3-cyclopentylprop-1-ene-1-thione

3-cyclopentylprop-1-ene-1-thione (PubChem CID 123847206) has the molecular formula C8H12S and a molecular weight of 140.25 g/mol. Its IUPAC name is 3-cyclopentylprop-1-ene-1-thione.

Molecular Properties

Compound Name3-cyclopentylprop-1-ene-1-thione
PubChem CID123847206
Molecular FormulaC8H12S
Molecular Weight140.25 g/mol
Exact Mass140.07
IUPAC Name3-cyclopentylprop-1-ene-1-thione
SMILESS=C=CCC1CCCC1
InChIInChI=1S/C8H12S/c9-7-3-6-8-4-1-2-5-8/h3,8H,1-2,4-6H2
InChIKeyNEFKHHUVDGEFFZ-UHFFFAOYSA-N
XLogP2.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.25
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Buta-2,3-dienylcyclopentane
CID 12176447
2-Ethanethioyl-3-methylidenecyclopentane-1-thione
CID 132148905
2-Cyclohexylethenethione
CID 154234643
2-Prop-2-enylcyclopentane-1-thione
CID 173030399

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentylprop-1-ene-1-thione?
The IUPAC name of 3-cyclopentylprop-1-ene-1-thione (CID 123847206) is 3-cyclopentylprop-1-ene-1-thione.
What is the SMILES notation for 3-cyclopentylprop-1-ene-1-thione?
The canonical SMILES for 3-cyclopentylprop-1-ene-1-thione is S=C=CCC1CCCC1.
What is the InChIKey of 3-cyclopentylprop-1-ene-1-thione?
The InChIKey is NEFKHHUVDGEFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12S/c9-7-3-6-8-4-1-2-5-8/h3,8H,1-2,4-6H2.
What are the key properties of 3-cyclopentylprop-1-ene-1-thione?
3-cyclopentylprop-1-ene-1-thione has a molecular weight of 140.25 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylprop-1-ene-1-thione is sourced from PubChem (CID 123847206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).