3-cyclohexylprop-2-ene-1-thiol

C9H16S — CID 54572501

IUPAC3-cyclohexylprop-2-ene-1-thiol
SMILESSCC=CC1CCCCC1
InChIInChI=1S/C9H16S/c10-8-4-7-9-5-2-1-3-6-9/h4,7,9-10H,1-3,5-6,8H2
InChIKeyZYHQAKLFZFVPKL-UHFFFAOYSA-N
MW156.29 g/mol
LogP3.05
Rot. Bonds2

About 3-cyclohexylprop-2-ene-1-thiol

3-cyclohexylprop-2-ene-1-thiol (PubChem CID 54572501) has the molecular formula C9H16S and a molecular weight of 156.29 g/mol. Its IUPAC name is 3-cyclohexylprop-2-ene-1-thiol.

Molecular Properties

Compound Name3-cyclohexylprop-2-ene-1-thiol
PubChem CID54572501
Molecular FormulaC9H16S
Molecular Weight156.29 g/mol
Exact Mass156.10
IUPAC Name3-cyclohexylprop-2-ene-1-thiol
SMILESSCC=CC1CCCCC1
InChIInChI=1S/C9H16S/c10-8-4-7-9-5-2-1-3-6-9/h4,7,9-10H,1-3,5-6,8H2
InChIKeyZYHQAKLFZFVPKL-UHFFFAOYSA-N
XLogP3.05
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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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Related Compounds

[(E)-but-1-enyl]cyclodecane
CID 173272598
2-cyclohexylethenylcyclohexane
CID 4124459
3-cyclopentylprop-2-en-1-amine
CID 54310760
4-chlorobut-1-enylcyclohexane
CID 72770329
[(E)-4-bromobut-1-enyl]cycloheptane
CID 82934609
(E)-2-cyclohexylethenethiol
CID 142947684
(Z)-4-cyclopentylbut-3-enal
CID 117268117
(E)-3-cycloheptylprop-2-ene-1-sulfonyl chloride
CID 115041900
3-cyclohexyl-N-propan-2-ylprop-2-en-1-amine
CID 79348258
3-cyclobutylprop-2-en-1-ol
CID 54225571
(E)-5-cyclohexylpent-2-ene-1-thiol
CID 88600947
(2E,4E)-5-cyclohexylpenta-2,4-dien-1-ol
CID 15237283

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexylprop-2-ene-1-thiol?
The IUPAC name of 3-cyclohexylprop-2-ene-1-thiol (CID 54572501) is 3-cyclohexylprop-2-ene-1-thiol.
What is the SMILES notation for 3-cyclohexylprop-2-ene-1-thiol?
The canonical SMILES for 3-cyclohexylprop-2-ene-1-thiol is SCC=CC1CCCCC1.
What is the InChIKey of 3-cyclohexylprop-2-ene-1-thiol?
The InChIKey is ZYHQAKLFZFVPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16S/c10-8-4-7-9-5-2-1-3-6-9/h4,7,9-10H,1-3,5-6,8H2.
What are the key properties of 3-cyclohexylprop-2-ene-1-thiol?
3-cyclohexylprop-2-ene-1-thiol has a molecular weight of 156.29 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexylprop-2-ene-1-thiol is sourced from PubChem (CID 54572501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).