2-(1-ethenylcyclohexyl)ethanethiol

C10H18S — CID 159782658

IUPAC2-(1-ethenylcyclohexyl)ethanethiol
SMILESC=CC1(CCS)CCCCC1
InChIInChI=1S/C10H18S/c1-2-10(8-9-11)6-4-3-5-7-10/h2,11H,1,3-9H2
InChIKeyNHOAPSVUSIZXRJ-UHFFFAOYSA-N
MW170.32 g/mol
LogP3.44
Rot. Bonds3

About 2-(1-ethenylcyclohexyl)ethanethiol

2-(1-ethenylcyclohexyl)ethanethiol (PubChem CID 159782658) has the molecular formula C10H18S and a molecular weight of 170.32 g/mol. Its IUPAC name is 2-(1-ethenylcyclohexyl)ethanethiol.

Molecular Properties

Compound Name2-(1-ethenylcyclohexyl)ethanethiol
PubChem CID159782658
Molecular FormulaC10H18S
Molecular Weight170.32 g/mol
Exact Mass170.11
IUPAC Name2-(1-ethenylcyclohexyl)ethanethiol
SMILESC=CC1(CCS)CCCCC1
InChIInChI=1S/C10H18S/c1-2-10(8-9-11)6-4-3-5-7-10/h2,11H,1,3-9H2
InChIKeyNHOAPSVUSIZXRJ-UHFFFAOYSA-N
XLogP3.44
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.32
LogP ≤ 53.44
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

1-(1,1-Dimethyl-2-propenyl)cyclohexane-1-thiol
CID 11344421
2-Allylcyclohexanethiol
CID 12396254
2-Non-8-enyl-2-(sulfanylmethyl)propane-1,3-dithiol
CID 11536440
3-(1-ethylcyclohexyl)-3H-dithiole
CID 21972074
3-(1-ethenylcyclohexyl)-3H-dithiole
CID 22728351
2-[1,2-Bis(ethenyl)cyclohexyl]ethanethiol
CID 87126605
2-[2,2-Bis(ethenyl)cyclohexyl]ethanethiol
CID 87126606
2-[2-Ethenyl-2-(2-sulfanylethyl)cyclohexyl]ethanethiol
CID 87126665
3-(1-methylcyclohexyl)-3H-dithiole
CID 87392350
1-[2,2-Bis(1-sulfanylprop-2-enyl)cyclohexyl]prop-2-ene-1-thiol
CID 88750780
4-Cyclohexylhexa-1,5-diene-3-thiol
CID 123989956
3-(4-Prop-2-enylcyclohexyl)prop-1-ene-1-thiol
CID 126693272

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethenylcyclohexyl)ethanethiol?
The IUPAC name of 2-(1-ethenylcyclohexyl)ethanethiol (CID 159782658) is 2-(1-ethenylcyclohexyl)ethanethiol.
What is the SMILES notation for 2-(1-ethenylcyclohexyl)ethanethiol?
The canonical SMILES for 2-(1-ethenylcyclohexyl)ethanethiol is C=CC1(CCS)CCCCC1.
What is the InChIKey of 2-(1-ethenylcyclohexyl)ethanethiol?
The InChIKey is NHOAPSVUSIZXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18S/c1-2-10(8-9-11)6-4-3-5-7-10/h2,11H,1,3-9H2.
What are the key properties of 2-(1-ethenylcyclohexyl)ethanethiol?
2-(1-ethenylcyclohexyl)ethanethiol has a molecular weight of 170.32 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethenylcyclohexyl)ethanethiol is sourced from PubChem (CID 159782658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).