1-(disulfanyl)tricyclo[5.2.1.02,6]decane

C10H16S2 — CID 87738523

IUPAC1-(disulfanyl)tricyclo[5.2.1.02,6]decane
SMILESSSC12CCC(C1)C1CCCC12
InChIInChI=1S/C10H16S2/c11-12-10-5-4-7(6-10)8-2-1-3-9(8)10/h7-9,11H,1-6H2
InChIKeyUMKGNOSUMPQVFZ-UHFFFAOYSA-N
MW200.37 g/mol
LogP3.53
Rot. Bonds1

About 1-(disulfanyl)tricyclo[5.2.1.02,6]decane

1-(disulfanyl)tricyclo[5.2.1.02,6]decane (PubChem CID 87738523) has the molecular formula C10H16S2 and a molecular weight of 200.37 g/mol. Its IUPAC name is 1-(disulfanyl)tricyclo[5.2.1.02,6]decane.

Molecular Properties

Compound Name1-(disulfanyl)tricyclo[5.2.1.02,6]decane
PubChem CID87738523
Molecular FormulaC10H16S2
Molecular Weight200.37 g/mol
Exact Mass200.07
IUPAC Name1-(disulfanyl)tricyclo[5.2.1.02,6]decane
SMILESSSC12CCC(C1)C1CCCC12
InChIInChI=1S/C10H16S2/c11-12-10-5-4-7(6-10)8-2-1-3-9(8)10/h7-9,11H,1-6H2
InChIKeyUMKGNOSUMPQVFZ-UHFFFAOYSA-N
XLogP3.53
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(disulfanyl)tricyclo[5.2.1.02,6]decane?
The IUPAC name of 1-(disulfanyl)tricyclo[5.2.1.02,6]decane (CID 87738523) is 1-(disulfanyl)tricyclo[5.2.1.02,6]decane.
What is the SMILES notation for 1-(disulfanyl)tricyclo[5.2.1.02,6]decane?
The canonical SMILES for 1-(disulfanyl)tricyclo[5.2.1.02,6]decane is SSC12CCC(C1)C1CCCC12.
What is the InChIKey of 1-(disulfanyl)tricyclo[5.2.1.02,6]decane?
The InChIKey is UMKGNOSUMPQVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16S2/c11-12-10-5-4-7(6-10)8-2-1-3-9(8)10/h7-9,11H,1-6H2.
What are the key properties of 1-(disulfanyl)tricyclo[5.2.1.02,6]decane?
1-(disulfanyl)tricyclo[5.2.1.02,6]decane has a molecular weight of 200.37 g/mol, XLogP of 3.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(disulfanyl)tricyclo[5.2.1.02,6]decane is sourced from PubChem (CID 87738523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).