2-cyclopent-2-en-1-ylethanethiol

C7H12S — CID 86024729

IUPAC2-cyclopent-2-en-1-ylethanethiol
SMILESSCCC1C=CCC1
InChIInChI=1S/C7H12S/c8-6-5-7-3-1-2-4-7/h1,3,7-8H,2,4-6H2
InChIKeyUOGCUOCNFJOUMV-UHFFFAOYSA-N
MW128.24 g/mol
LogP2.27
Rot. Bonds2

About 2-cyclopent-2-en-1-ylethanethiol

2-cyclopent-2-en-1-ylethanethiol (PubChem CID 86024729) has the molecular formula C7H12S and a molecular weight of 128.24 g/mol. Its IUPAC name is 2-cyclopent-2-en-1-ylethanethiol.

Molecular Properties

Compound Name2-cyclopent-2-en-1-ylethanethiol
PubChem CID86024729
Molecular FormulaC7H12S
Molecular Weight128.24 g/mol
Exact Mass128.07
IUPAC Name2-cyclopent-2-en-1-ylethanethiol
SMILESSCCC1C=CCC1
InChIInChI=1S/C7H12S/c8-6-5-7-3-1-2-4-7/h1,3,7-8H,2,4-6H2
InChIKeyUOGCUOCNFJOUMV-UHFFFAOYSA-N
XLogP2.27
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.24
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-cyclopent-2-en-1-ylethanethiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Cyclohex-3-en-1-yl)methanethiol
CID 12299207
3-(b-Mercaptoethyl)cyclohexene
CID 14172617
3-Vinyl-1,2-dithiocyclohex-4-ene
CID 129724298
3-Vinyl-1,2-dithiocyclohex-5-ene
CID 129847992
(4-Fluorocyclohex-3-en-1-yl)methanethiol
CID 88283383
(2-Fluorocyclohex-3-en-1-yl)methanethiol
CID 88283761
Cyclohex-3-ene-1-carbothialdehyde
CID 19860513
Cyclopent-2-en-1-ylmethanethiol
CID 20648648
4-Cyclopentylbut-3-ene-1-thiol
CID 53664353
(Cyclohex-2-en-1-yl)methanethiol
CID 57143466
Bicyclo[2.2.1]hept-5-ene-2-thiol
CID 73114971
4-[2-Methyl-1,2-bis(sulfanyl)propyl]cyclopent-2-ene-1-thione
CID 87217185

Frequently Asked Questions

What is the IUPAC name of 2-cyclopent-2-en-1-ylethanethiol?
The IUPAC name of 2-cyclopent-2-en-1-ylethanethiol (CID 86024729) is 2-cyclopent-2-en-1-ylethanethiol.
What is the SMILES notation for 2-cyclopent-2-en-1-ylethanethiol?
The canonical SMILES for 2-cyclopent-2-en-1-ylethanethiol is SCCC1C=CCC1.
What is the InChIKey of 2-cyclopent-2-en-1-ylethanethiol?
The InChIKey is UOGCUOCNFJOUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12S/c8-6-5-7-3-1-2-4-7/h1,3,7-8H,2,4-6H2.
What are the key properties of 2-cyclopent-2-en-1-ylethanethiol?
2-cyclopent-2-en-1-ylethanethiol has a molecular weight of 128.24 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopent-2-en-1-ylethanethiol is sourced from PubChem (CID 86024729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).