1-prop-2-enylcyclopentane-1-thiol

C8H14S — CID 87317246

IUPAC1-prop-2-enylcyclopentane-1-thiol
SMILESC=CCC1(S)CCCC1
InChIInChI=1S/C8H14S/c1-2-5-8(9)6-3-4-7-8/h2,9H,1,3-7H2
InChIKeyQQXIWDAPPKUGDM-UHFFFAOYSA-N
MW142.27 g/mol
LogP2.81
Rot. Bonds2

About 1-prop-2-enylcyclopentane-1-thiol

1-prop-2-enylcyclopentane-1-thiol (PubChem CID 87317246) has the molecular formula C8H14S and a molecular weight of 142.27 g/mol. Its IUPAC name is 1-prop-2-enylcyclopentane-1-thiol.

Molecular Properties

Compound Name1-prop-2-enylcyclopentane-1-thiol
PubChem CID87317246
Molecular FormulaC8H14S
Molecular Weight142.27 g/mol
Exact Mass142.08
IUPAC Name1-prop-2-enylcyclopentane-1-thiol
SMILESC=CCC1(S)CCCC1
InChIInChI=1S/C8H14S/c1-2-5-8(9)6-3-4-7-8/h2,9H,1,3-7H2
InChIKeyQQXIWDAPPKUGDM-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
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
1-Ethenylcyclopentane-1-thiol
CID 85779763
(1-Prop-2-enylcyclopentyl)methanethiol
CID 141990217
(E)-2-cyclopentylethenethiol
CID 148704484
1-Cyclopentylprop-2-ene-1-thiol
CID 148952094
4-Cyclopentylhexa-1,5-diene-2-thiol
CID 156544899
2-Prop-2-enylcyclopentane-1-thione
CID 173030399
CID 11187905
CID 11187905

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enylcyclopentane-1-thiol?
The IUPAC name of 1-prop-2-enylcyclopentane-1-thiol (CID 87317246) is 1-prop-2-enylcyclopentane-1-thiol.
What is the SMILES notation for 1-prop-2-enylcyclopentane-1-thiol?
The canonical SMILES for 1-prop-2-enylcyclopentane-1-thiol is C=CCC1(S)CCCC1.
What is the InChIKey of 1-prop-2-enylcyclopentane-1-thiol?
The InChIKey is QQXIWDAPPKUGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14S/c1-2-5-8(9)6-3-4-7-8/h2,9H,1,3-7H2.
What are the key properties of 1-prop-2-enylcyclopentane-1-thiol?
1-prop-2-enylcyclopentane-1-thiol has a molecular weight of 142.27 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enylcyclopentane-1-thiol is sourced from PubChem (CID 87317246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).