tricyclo[5.2.1.02,6]decane-10-thiol

C10H16S — CID 89269654

IUPACtricyclo[5.2.1.02,6]decane-10-thiol
SMILESSC1C2CCC1C1CCCC21
InChIInChI=1S/C10H16S/c11-10-8-4-5-9(10)7-3-1-2-6(7)8/h6-11H,1-5H2
InChIKeyAMJCFSWIPWBFEZ-UHFFFAOYSA-N
MW168.30 g/mol
LogP2.74
Rot. Bonds

About tricyclo[5.2.1.02,6]decane-10-thiol

tricyclo[5.2.1.02,6]decane-10-thiol (PubChem CID 89269654) has the molecular formula C10H16S and a molecular weight of 168.30 g/mol. Its IUPAC name is tricyclo[5.2.1.02,6]decane-10-thiol.

Molecular Properties

Compound Nametricyclo[5.2.1.02,6]decane-10-thiol
PubChem CID89269654
Molecular FormulaC10H16S
Molecular Weight168.30 g/mol
Exact Mass168.10
IUPAC Nametricyclo[5.2.1.02,6]decane-10-thiol
SMILESSC1C2CCC1C1CCCC21
InChIInChI=1S/C10H16S/c11-10-8-4-5-9(10)7-3-1-2-6(7)8/h6-11H,1-5H2
InChIKeyAMJCFSWIPWBFEZ-UHFFFAOYSA-N
XLogP2.74
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.30
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tricyclo[5.2.1.02,6]decane-10-thiol?
The IUPAC name of tricyclo[5.2.1.02,6]decane-10-thiol (CID 89269654) is tricyclo[5.2.1.02,6]decane-10-thiol.
What is the SMILES notation for tricyclo[5.2.1.02,6]decane-10-thiol?
The canonical SMILES for tricyclo[5.2.1.02,6]decane-10-thiol is SC1C2CCC1C1CCCC21.
What is the InChIKey of tricyclo[5.2.1.02,6]decane-10-thiol?
The InChIKey is AMJCFSWIPWBFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16S/c11-10-8-4-5-9(10)7-3-1-2-6(7)8/h6-11H,1-5H2.
What are the key properties of tricyclo[5.2.1.02,6]decane-10-thiol?
tricyclo[5.2.1.02,6]decane-10-thiol has a molecular weight of 168.30 g/mol, XLogP of 2.74, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[5.2.1.02,6]decane-10-thiol is sourced from PubChem (CID 89269654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).