10-(2-methylsulfanylethylsulfanyl)tricyclo[5.2.1.02,6]decane

C13H22S2 — CID 71095799

IUPAC10-(2-methylsulfanylethylsulfanyl)tricyclo[5.2.1.02,6]decane
SMILESCSCCSC1C2CCC1C1CCCC12
InChIInChI=1S/C13H22S2/c1-14-7-8-15-13-11-5-6-12(13)10-4-2-3-9(10)11/h9-13H,2-8H2,1H3
InChIKeyVXJDRSWKOQFWCP-UHFFFAOYSA-N
MW242.45 g/mol
LogP3.91
Rot. Bonds4

About 10-(2-methylsulfanylethylsulfanyl)tricyclo[5.2.1.02,6]decane

10-(2-methylsulfanylethylsulfanyl)tricyclo[5.2.1.02,6]decane (PubChem CID 71095799) has the molecular formula C13H22S2 and a molecular weight of 242.45 g/mol. Its IUPAC name is 10-(2-methylsulfanylethylsulfanyl)tricyclo[5.2.1.02,6]decane.

Molecular Properties

Compound Name10-(2-methylsulfanylethylsulfanyl)tricyclo[5.2.1.02,6]decane
PubChem CID71095799
Molecular FormulaC13H22S2
Molecular Weight242.45 g/mol
Exact Mass242.12
IUPAC Name10-(2-methylsulfanylethylsulfanyl)tricyclo[5.2.1.02,6]decane
SMILESCSCCSC1C2CCC1C1CCCC12
InChIInChI=1S/C13H22S2/c1-14-7-8-15-13-11-5-6-12(13)10-4-2-3-9(10)11/h9-13H,2-8H2,1H3
InChIKeyVXJDRSWKOQFWCP-UHFFFAOYSA-N
XLogP3.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.45
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-(2-methylsulfanylethylsulfanyl)tricyclo[5.2.1.02,6]decane?
The IUPAC name of 10-(2-methylsulfanylethylsulfanyl)tricyclo[5.2.1.02,6]decane (CID 71095799) is 10-(2-methylsulfanylethylsulfanyl)tricyclo[5.2.1.02,6]decane.
What is the SMILES notation for 10-(2-methylsulfanylethylsulfanyl)tricyclo[5.2.1.02,6]decane?
The canonical SMILES for 10-(2-methylsulfanylethylsulfanyl)tricyclo[5.2.1.02,6]decane is CSCCSC1C2CCC1C1CCCC12.
What is the InChIKey of 10-(2-methylsulfanylethylsulfanyl)tricyclo[5.2.1.02,6]decane?
The InChIKey is VXJDRSWKOQFWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22S2/c1-14-7-8-15-13-11-5-6-12(13)10-4-2-3-9(10)11/h9-13H,2-8H2,1H3.
What are the key properties of 10-(2-methylsulfanylethylsulfanyl)tricyclo[5.2.1.02,6]decane?
10-(2-methylsulfanylethylsulfanyl)tricyclo[5.2.1.02,6]decane has a molecular weight of 242.45 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-methylsulfanylethylsulfanyl)tricyclo[5.2.1.02,6]decane is sourced from PubChem (CID 71095799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).