1-cyclopentylprop-2-ene-1-thiol

C8H14S — CID 148952094

IUPAC1-cyclopentylprop-2-ene-1-thiol
SMILESC=CC(S)C1CCCC1
InChIInChI=1S/C8H14S/c1-2-8(9)7-5-3-4-6-7/h2,7-9H,1,3-6H2
InChIKeyPQDNKWBTSQVZSN-UHFFFAOYSA-N
MW142.27 g/mol
LogP2.66
Rot. Bonds2

About 1-cyclopentylprop-2-ene-1-thiol

1-cyclopentylprop-2-ene-1-thiol (PubChem CID 148952094) has the molecular formula C8H14S and a molecular weight of 142.27 g/mol. Its IUPAC name is 1-cyclopentylprop-2-ene-1-thiol.

Molecular Properties

Compound Name1-cyclopentylprop-2-ene-1-thiol
PubChem CID148952094
Molecular FormulaC8H14S
Molecular Weight142.27 g/mol
Exact Mass142.08
IUPAC Name1-cyclopentylprop-2-ene-1-thiol
SMILESC=CC(S)C1CCCC1
InChIInChI=1S/C8H14S/c1-2-8(9)7-5-3-4-6-7/h2,7-9H,1,3-6H2
InChIKeyPQDNKWBTSQVZSN-UHFFFAOYSA-N
XLogP2.66
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.27
LogP ≤ 52.66
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'}

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Related Compounds

2-Allylcyclopentane-1-thiol
CID 12575093
2-Butyl-4-pentenethiol
CID 129783071
2,4,6-Trimethyloct-7-ene-1-thiol
CID 20298660
4-Cyclopentylbut-3-ene-1-thiol
CID 53664353
1-Prop-2-enylcyclopentane-1-thiol
CID 87317246
2-Ethenylcyclohexane-1-thiol
CID 88542898
(E)-4-cyclopentylbut-3-ene-1-thiol
CID 88600705
4-Ethenylcyclohexane-1-thiol
CID 89197904
(E)-3-methyl-4-(3-methylcyclopentyl)pent-1-ene-1-thiol
CID 89228057
(2-Ethenyl-4-propan-2-ylcyclopentyl)methanethiol
CID 89382632
2-Ethyl-4-methylidenehept-6-ene-1-thiol
CID 91523467
(Z)-3-ethylhept-1-ene-1-thiol
CID 122663477

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentylprop-2-ene-1-thiol?
The IUPAC name of 1-cyclopentylprop-2-ene-1-thiol (CID 148952094) is 1-cyclopentylprop-2-ene-1-thiol.
What is the SMILES notation for 1-cyclopentylprop-2-ene-1-thiol?
The canonical SMILES for 1-cyclopentylprop-2-ene-1-thiol is C=CC(S)C1CCCC1.
What is the InChIKey of 1-cyclopentylprop-2-ene-1-thiol?
The InChIKey is PQDNKWBTSQVZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14S/c1-2-8(9)7-5-3-4-6-7/h2,7-9H,1,3-6H2.
What are the key properties of 1-cyclopentylprop-2-ene-1-thiol?
1-cyclopentylprop-2-ene-1-thiol has a molecular weight of 142.27 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentylprop-2-ene-1-thiol is sourced from PubChem (CID 148952094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).