(E)-4-cyclopentylbut-3-ene-1-thiol

C9H16S — CID 88600705

IUPAC(E)-4-cyclopentylbut-3-ene-1-thiol
SMILESSCC/C=C/C1CCCC1
InChIInChI=1S/C9H16S/c10-8-4-3-7-9-5-1-2-6-9/h3,7,9-10H,1-2,4-6,8H2/b7-3+
InChIKeyAVNKBEICAQSTFA-XVNBXDOJSA-N
MW156.29 g/mol
LogP3.05
Rot. Bonds3

About (E)-4-cyclopentylbut-3-ene-1-thiol

(E)-4-cyclopentylbut-3-ene-1-thiol (PubChem CID 88600705) has the molecular formula C9H16S and a molecular weight of 156.29 g/mol. Its IUPAC name is (E)-4-cyclopentylbut-3-ene-1-thiol.

Molecular Properties

Compound Name(E)-4-cyclopentylbut-3-ene-1-thiol
PubChem CID88600705
Molecular FormulaC9H16S
Molecular Weight156.29 g/mol
Exact Mass156.10
IUPAC Name(E)-4-cyclopentylbut-3-ene-1-thiol
SMILESSCC/C=C/C1CCCC1
InChIInChI=1S/C9H16S/c10-8-4-3-7-9-5-1-2-6-9/h3,7,9-10H,1-2,4-6,8H2/b7-3+
InChIKeyAVNKBEICAQSTFA-XVNBXDOJSA-N
XLogP3.05
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.29
LogP ≤ 53.05
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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Frequently Asked Questions

What is the IUPAC name of (E)-4-cyclopentylbut-3-ene-1-thiol?
The IUPAC name of (E)-4-cyclopentylbut-3-ene-1-thiol (CID 88600705) is (E)-4-cyclopentylbut-3-ene-1-thiol.
What is the SMILES notation for (E)-4-cyclopentylbut-3-ene-1-thiol?
The canonical SMILES for (E)-4-cyclopentylbut-3-ene-1-thiol is SCC/C=C/C1CCCC1.
What is the InChIKey of (E)-4-cyclopentylbut-3-ene-1-thiol?
The InChIKey is AVNKBEICAQSTFA-XVNBXDOJSA-N. The full InChI is InChI=1S/C9H16S/c10-8-4-3-7-9-5-1-2-6-9/h3,7,9-10H,1-2,4-6,8H2/b7-3+.
What are the key properties of (E)-4-cyclopentylbut-3-ene-1-thiol?
(E)-4-cyclopentylbut-3-ene-1-thiol has a molecular weight of 156.29 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-cyclopentylbut-3-ene-1-thiol is sourced from PubChem (CID 88600705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).