potassium [(1R,2S,6S,7R)-8-tricyclo[5.2.1.02,6]decanyl]oxymethanedithioate

C11H15KOS2 — CID 131841816

IUPACpotassium [(1R,2S,6S,7R)-8-tricyclo[5.2.1.02,6]decanyl]oxymethanedithioate
SMILESS=C([S-])OC1C[C@H]2C[C@@H]1[C@H]1CCC[C@@H]21.[K+]
InChIInChI=1S/C11H16OS2.K/c13-11(14)12-10-5-6-4-9(10)8-3-1-2-7(6)8;/h6-10H,1-5H2,(H,13,14);/q;+1/p-1/t6-,7+,8+,9-,10?;/m1./s1
InChIKeyIGULCCCBGBDZKQ-IBUKJIQJSA-M
MW266.47 g/mol
LogP-0.34
Rot. Bonds1

About potassium [(1R,2S,6S,7R)-8-tricyclo[5.2.1.02,6]decanyl]oxymethanedithioate

potassium [(1R,2S,6S,7R)-8-tricyclo[5.2.1.02,6]decanyl]oxymethanedithioate (PubChem CID 131841816) has the molecular formula C11H15KOS2 and a molecular weight of 266.47 g/mol. Its IUPAC name is potassium [(1R,2S,6S,7R)-8-tricyclo[5.2.1.02,6]decanyl]oxymethanedithioate.

Molecular Properties

Compound Namepotassium [(1R,2S,6S,7R)-8-tricyclo[5.2.1.02,6]decanyl]oxymethanedithioate
PubChem CID131841816
Molecular FormulaC11H15KOS2
Molecular Weight266.47 g/mol
Exact Mass266.02
IUPAC Namepotassium [(1R,2S,6S,7R)-8-tricyclo[5.2.1.02,6]decanyl]oxymethanedithioate
SMILESS=C([S-])OC1C[C@H]2C[C@@H]1[C@H]1CCC[C@@H]21.[K+]
InChIInChI=1S/C11H16OS2.K/c13-11(14)12-10-5-6-4-9(10)8-3-1-2-7(6)8;/h6-10H,1-5H2,(H,13,14);/q;+1/p-1/t6-,7+,8+,9-,10?;/m1./s1
InChIKeyIGULCCCBGBDZKQ-IBUKJIQJSA-M
XLogP-0.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 5-0.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium [(1R,2S,6S,7R)-8-tricyclo[5.2.1.02,6]decanyl]oxymethanedithioate?
The IUPAC name of potassium [(1R,2S,6S,7R)-8-tricyclo[5.2.1.02,6]decanyl]oxymethanedithioate (CID 131841816) is potassium [(1R,2S,6S,7R)-8-tricyclo[5.2.1.02,6]decanyl]oxymethanedithioate.
What is the SMILES notation for potassium [(1R,2S,6S,7R)-8-tricyclo[5.2.1.02,6]decanyl]oxymethanedithioate?
The canonical SMILES for potassium [(1R,2S,6S,7R)-8-tricyclo[5.2.1.02,6]decanyl]oxymethanedithioate is S=C([S-])OC1C[C@H]2C[C@@H]1[C@H]1CCC[C@@H]21.[K+].
What is the InChIKey of potassium [(1R,2S,6S,7R)-8-tricyclo[5.2.1.02,6]decanyl]oxymethanedithioate?
The InChIKey is IGULCCCBGBDZKQ-IBUKJIQJSA-M. The full InChI is InChI=1S/C11H16OS2.K/c13-11(14)12-10-5-6-4-9(10)8-3-1-2-7(6)8;/h6-10H,1-5H2,(H,13,14);/q;+1/p-1/t6-,7+,8+,9-,10?;/m1./s1.
What are the key properties of potassium [(1R,2S,6S,7R)-8-tricyclo[5.2.1.02,6]decanyl]oxymethanedithioate?
potassium [(1R,2S,6S,7R)-8-tricyclo[5.2.1.02,6]decanyl]oxymethanedithioate has a molecular weight of 266.47 g/mol, XLogP of -0.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium [(1R,2S,6S,7R)-8-tricyclo[5.2.1.02,6]decanyl]oxymethanedithioate is sourced from PubChem (CID 131841816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).