potassium 2-(8-tricyclo[5.2.1.02,6]decanyl)ethanedithioate

C12H17KS2 — CID 23706255

IUPACpotassium 2-(8-tricyclo[5.2.1.02,6]decanyl)ethanedithioate
SMILESS=C([S-])CC1CC2CC1C1CCCC21.[K+]
InChIInChI=1S/C12H18S2.K/c13-12(14)6-8-4-7-5-11(8)10-3-1-2-9(7)10;/h7-11H,1-6H2,(H,13,14);/q;+1/p-1
InChIKeyRXFKPROICFPMGA-UHFFFAOYSA-M
MW264.50 g/mol
LogP0.33
Rot. Bonds2

About potassium 2-(8-tricyclo[5.2.1.02,6]decanyl)ethanedithioate

potassium 2-(8-tricyclo[5.2.1.02,6]decanyl)ethanedithioate (PubChem CID 23706255) has the molecular formula C12H17KS2 and a molecular weight of 264.50 g/mol. Its IUPAC name is potassium 2-(8-tricyclo[5.2.1.02,6]decanyl)ethanedithioate.

Molecular Properties

Compound Namepotassium 2-(8-tricyclo[5.2.1.02,6]decanyl)ethanedithioate
PubChem CID23706255
Molecular FormulaC12H17KS2
Molecular Weight264.50 g/mol
Exact Mass264.04
IUPAC Namepotassium 2-(8-tricyclo[5.2.1.02,6]decanyl)ethanedithioate
SMILESS=C([S-])CC1CC2CC1C1CCCC21.[K+]
InChIInChI=1S/C12H18S2.K/c13-12(14)6-8-4-7-5-11(8)10-3-1-2-9(7)10;/h7-11H,1-6H2,(H,13,14);/q;+1/p-1
InChIKeyRXFKPROICFPMGA-UHFFFAOYSA-M
XLogP0.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.50
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

[(8R)-8-tricyclo[5.2.1.02,6]decanyl]methanol
CID 177289289
2-(8-tricyclo[5.2.1.02,6]decanylmethyl)prop-2-enoic acid
CID 18471734
potassium [(1R,2S,6S,7R)-8-tricyclo[5.2.1.02,6]decanyl]oxymethanedithioate
CID 131841816
2-[2-hydroxyethyl(8-tricyclo[5.2.1.02,6]decanylmethyl)amino]ethanol
CID 58779502
tetrakis(8-tricyclo[5.2.1.02,6]decanylmethyl) silicate
CID 56841189
CID 171375674
CID 171375674
potassium 8-tricyclo[5.2.1.02,6]decanyloxymethanedithioic acid
CID 45479729
8-(2,2-dimethylbutyl)tricyclo[5.2.1.02,6]decane
CID 20743981
8-hexyltricyclo[5.2.1.02,6]decane
CID 18442200
(2R,6R,8S)-tricyclo[5.2.1.02,6]decan-8-ol
CID 91749092
(1R,2S,6S,7R,8S)-tricyclo[5.2.1.02,6]decan-8-ol
CID 21118867
(1S,2R,6R,7S)-tricyclo[5.2.1.02,6]decan-8-amine
CID 11378594

Frequently Asked Questions

What is the IUPAC name of potassium 2-(8-tricyclo[5.2.1.02,6]decanyl)ethanedithioate?
The IUPAC name of potassium 2-(8-tricyclo[5.2.1.02,6]decanyl)ethanedithioate (CID 23706255) is potassium 2-(8-tricyclo[5.2.1.02,6]decanyl)ethanedithioate.
What is the SMILES notation for potassium 2-(8-tricyclo[5.2.1.02,6]decanyl)ethanedithioate?
The canonical SMILES for potassium 2-(8-tricyclo[5.2.1.02,6]decanyl)ethanedithioate is S=C([S-])CC1CC2CC1C1CCCC21.[K+].
What is the InChIKey of potassium 2-(8-tricyclo[5.2.1.02,6]decanyl)ethanedithioate?
The InChIKey is RXFKPROICFPMGA-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H18S2.K/c13-12(14)6-8-4-7-5-11(8)10-3-1-2-9(7)10;/h7-11H,1-6H2,(H,13,14);/q;+1/p-1.
What are the key properties of potassium 2-(8-tricyclo[5.2.1.02,6]decanyl)ethanedithioate?
potassium 2-(8-tricyclo[5.2.1.02,6]decanyl)ethanedithioate has a molecular weight of 264.50 g/mol, XLogP of 0.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-(8-tricyclo[5.2.1.02,6]decanyl)ethanedithioate is sourced from PubChem (CID 23706255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).