(E)-2-cyclopentylethenethiol

C7H12S — CID 148704484

IUPAC(E)-2-cyclopentylethenethiol
SMILESS/C=C/C1CCCC1
InChIInChI=1S/C7H12S/c8-6-5-7-3-1-2-4-7/h5-8H,1-4H2/b6-5+
InChIKeyNVZVSBKDJVKCHU-AATRIKPKSA-N
MW128.24 g/mol
LogP2.62
Rot. Bonds1

About (E)-2-cyclopentylethenethiol

(E)-2-cyclopentylethenethiol (PubChem CID 148704484) has the molecular formula C7H12S and a molecular weight of 128.24 g/mol. Its IUPAC name is (E)-2-cyclopentylethenethiol.

Molecular Properties

Compound Name(E)-2-cyclopentylethenethiol
PubChem CID148704484
Molecular FormulaC7H12S
Molecular Weight128.24 g/mol
Exact Mass128.07
IUPAC Name(E)-2-cyclopentylethenethiol
SMILESS/C=C/C1CCCC1
InChIInChI=1S/C7H12S/c8-6-5-7-3-1-2-4-7/h5-8H,1-4H2/b6-5+
InChIKeyNVZVSBKDJVKCHU-AATRIKPKSA-N
XLogP2.62
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.24
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Allylcyclopentane-1-thiol
CID 12575093
4-Cyclopentylbut-3-ene-1-thiol
CID 53664353
1-Ethenylcyclopentane-1-thiol
CID 85779763
2-Cyclopent-2-en-1-ylethanethiol
CID 86024729
1-Prop-2-enylcyclopentane-1-thiol
CID 87317246
(E)-4-cyclopentylbut-3-ene-1-thiol
CID 88600705
4,5-Bis(ethenyl)octa-1,7-diene-3-thiol
CID 124018889
(Z)-2-(2-methylcyclopentyl)ethenethiol
CID 141850183
3-Ethenylcyclopentane-1-thiol
CID 144463928
(E)-3-cyclopentylprop-2-ene-1-thiol
CID 145150108
3-Cyclopent-3-en-1-ylpropane-1-thiol
CID 148055986
1-Cyclopentylprop-2-ene-1-thiol
CID 148952094

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyclopentylethenethiol?
The IUPAC name of (E)-2-cyclopentylethenethiol (CID 148704484) is (E)-2-cyclopentylethenethiol.
What is the SMILES notation for (E)-2-cyclopentylethenethiol?
The canonical SMILES for (E)-2-cyclopentylethenethiol is S/C=C/C1CCCC1.
What is the InChIKey of (E)-2-cyclopentylethenethiol?
The InChIKey is NVZVSBKDJVKCHU-AATRIKPKSA-N. The full InChI is InChI=1S/C7H12S/c8-6-5-7-3-1-2-4-7/h5-8H,1-4H2/b6-5+.
What are the key properties of (E)-2-cyclopentylethenethiol?
(E)-2-cyclopentylethenethiol has a molecular weight of 128.24 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyclopentylethenethiol is sourced from PubChem (CID 148704484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).