2-bicyclo[2.2.1]hept-5-enylsulfanium

C7H11S+ — CID 148837867

IUPAC2-bicyclo[2.2.1]hept-5-enylsulfanium
SMILES[SH2+]C1CC2C=CC1C2
InChIInChI=1S/C7H10S/c8-7-4-5-1-2-6(7)3-5/h1-2,5-8H,3-4H2/p+1
InChIKeyOUYHYFKNLDXIQP-UHFFFAOYSA-O
MW127.23 g/mol
LogP0.96
Rot. Bonds

About 2-bicyclo[2.2.1]hept-5-enylsulfanium

2-bicyclo[2.2.1]hept-5-enylsulfanium (PubChem CID 148837867) has the molecular formula C7H11S+ and a molecular weight of 127.23 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]hept-5-enylsulfanium.

Molecular Properties

Compound Name2-bicyclo[2.2.1]hept-5-enylsulfanium
PubChem CID148837867
Molecular FormulaC7H11S+
Molecular Weight127.23 g/mol
Exact Mass127.06
IUPAC Name2-bicyclo[2.2.1]hept-5-enylsulfanium
SMILES[SH2+]C1CC2C=CC1C2
InChIInChI=1S/C7H10S/c8-7-4-5-1-2-6(7)3-5/h1-2,5-8H,3-4H2/p+1
InChIKeyOUYHYFKNLDXIQP-UHFFFAOYSA-O
XLogP0.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]hept-5-enylsulfanium?
The IUPAC name of 2-bicyclo[2.2.1]hept-5-enylsulfanium (CID 148837867) is 2-bicyclo[2.2.1]hept-5-enylsulfanium.
What is the SMILES notation for 2-bicyclo[2.2.1]hept-5-enylsulfanium?
The canonical SMILES for 2-bicyclo[2.2.1]hept-5-enylsulfanium is [SH2+]C1CC2C=CC1C2.
What is the InChIKey of 2-bicyclo[2.2.1]hept-5-enylsulfanium?
The InChIKey is OUYHYFKNLDXIQP-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H10S/c8-7-4-5-1-2-6(7)3-5/h1-2,5-8H,3-4H2/p+1.
What are the key properties of 2-bicyclo[2.2.1]hept-5-enylsulfanium?
2-bicyclo[2.2.1]hept-5-enylsulfanium has a molecular weight of 127.23 g/mol, XLogP of 0.96, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]hept-5-enylsulfanium is sourced from PubChem (CID 148837867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).