3-[2,2-bis(3-sulfanylprop-2-enyl)cyclohexyl]prop-1-ene-1-thiol

C15H24S3 — CID 173433672

IUPAC3-[2,2-bis(3-sulfanylprop-2-enyl)cyclohexyl]prop-1-ene-1-thiol
SMILESSC=CCC1CCCCC1(CC=CS)CC=CS
InChIInChI=1S/C15H24S3/c16-11-3-7-14-6-1-2-8-15(14,9-4-12-17)10-5-13-18/h3-5,11-14,16-18H,1-2,6-10H2
InChIKeyAYRZBHANLTWDEQ-UHFFFAOYSA-N
MW300.56 g/mol
LogP5.66
Rot. Bonds6

About 3-[2,2-bis(3-sulfanylprop-2-enyl)cyclohexyl]prop-1-ene-1-thiol

3-[2,2-bis(3-sulfanylprop-2-enyl)cyclohexyl]prop-1-ene-1-thiol (PubChem CID 173433672) has the molecular formula C15H24S3 and a molecular weight of 300.56 g/mol. Its IUPAC name is 3-[2,2-bis(3-sulfanylprop-2-enyl)cyclohexyl]prop-1-ene-1-thiol.

Molecular Properties

Compound Name3-[2,2-bis(3-sulfanylprop-2-enyl)cyclohexyl]prop-1-ene-1-thiol
PubChem CID173433672
Molecular FormulaC15H24S3
Molecular Weight300.56 g/mol
Exact Mass300.10
IUPAC Name3-[2,2-bis(3-sulfanylprop-2-enyl)cyclohexyl]prop-1-ene-1-thiol
SMILESSC=CCC1CCCCC1(CC=CS)CC=CS
InChIInChI=1S/C15H24S3/c16-11-3-7-14-6-1-2-8-15(14,9-4-12-17)10-5-13-18/h3-5,11-14,16-18H,1-2,6-10H2
InChIKeyAYRZBHANLTWDEQ-UHFFFAOYSA-N
XLogP5.66
TPSA0.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.56
LogP ≤ 55.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(alpha-Methyl-beta-propenyl)-1-cyclohexanethiol
CID 12396262
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
1,1,3-Trimethyl-2-(2-propylsulfanylethenyl)cyclohexane
CID 54193025
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 3-[2,2-bis(3-sulfanylprop-2-enyl)cyclohexyl]prop-1-ene-1-thiol?
The IUPAC name of 3-[2,2-bis(3-sulfanylprop-2-enyl)cyclohexyl]prop-1-ene-1-thiol (CID 173433672) is 3-[2,2-bis(3-sulfanylprop-2-enyl)cyclohexyl]prop-1-ene-1-thiol.
What is the SMILES notation for 3-[2,2-bis(3-sulfanylprop-2-enyl)cyclohexyl]prop-1-ene-1-thiol?
The canonical SMILES for 3-[2,2-bis(3-sulfanylprop-2-enyl)cyclohexyl]prop-1-ene-1-thiol is SC=CCC1CCCCC1(CC=CS)CC=CS.
What is the InChIKey of 3-[2,2-bis(3-sulfanylprop-2-enyl)cyclohexyl]prop-1-ene-1-thiol?
The InChIKey is AYRZBHANLTWDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24S3/c16-11-3-7-14-6-1-2-8-15(14,9-4-12-17)10-5-13-18/h3-5,11-14,16-18H,1-2,6-10H2.
What are the key properties of 3-[2,2-bis(3-sulfanylprop-2-enyl)cyclohexyl]prop-1-ene-1-thiol?
3-[2,2-bis(3-sulfanylprop-2-enyl)cyclohexyl]prop-1-ene-1-thiol has a molecular weight of 300.56 g/mol, XLogP of 5.66, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,2-bis(3-sulfanylprop-2-enyl)cyclohexyl]prop-1-ene-1-thiol is sourced from PubChem (CID 173433672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).