2-bicyclo[2.2.1]hept-5-enyl(dimethyl)sulfanium

C9H15S+ — CID 163582005

IUPAC2-bicyclo[2.2.1]hept-5-enyl(dimethyl)sulfanium
SMILESC[S+](C)C1CC2C=CC1C2
InChIInChI=1S/C9H15S/c1-10(2)9-6-7-3-4-8(9)5-7/h3-4,7-9H,5-6H2,1-2H3/q+1
InChIKeyGIISHLPLTONHBQ-UHFFFAOYSA-N
MW155.29 g/mol
LogP1.83
Rot. Bonds1

About 2-bicyclo[2.2.1]hept-5-enyl(dimethyl)sulfanium

2-bicyclo[2.2.1]hept-5-enyl(dimethyl)sulfanium (PubChem CID 163582005) has the molecular formula C9H15S+ and a molecular weight of 155.29 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]hept-5-enyl(dimethyl)sulfanium.

Molecular Properties

Compound Name2-bicyclo[2.2.1]hept-5-enyl(dimethyl)sulfanium
PubChem CID163582005
Molecular FormulaC9H15S+
Molecular Weight155.29 g/mol
Exact Mass155.09
IUPAC Name2-bicyclo[2.2.1]hept-5-enyl(dimethyl)sulfanium
SMILESC[S+](C)C1CC2C=CC1C2
InChIInChI=1S/C9H15S/c1-10(2)9-6-7-3-4-8(9)5-7/h3-4,7-9H,5-6H2,1-2H3/q+1
InChIKeyGIISHLPLTONHBQ-UHFFFAOYSA-N
XLogP1.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.29
LogP ≤ 51.83
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-enyl(dimethyl)sulfanium?
The IUPAC name of 2-bicyclo[2.2.1]hept-5-enyl(dimethyl)sulfanium (CID 163582005) is 2-bicyclo[2.2.1]hept-5-enyl(dimethyl)sulfanium.
What is the SMILES notation for 2-bicyclo[2.2.1]hept-5-enyl(dimethyl)sulfanium?
The canonical SMILES for 2-bicyclo[2.2.1]hept-5-enyl(dimethyl)sulfanium is C[S+](C)C1CC2C=CC1C2.
What is the InChIKey of 2-bicyclo[2.2.1]hept-5-enyl(dimethyl)sulfanium?
The InChIKey is GIISHLPLTONHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15S/c1-10(2)9-6-7-3-4-8(9)5-7/h3-4,7-9H,5-6H2,1-2H3/q+1.
What are the key properties of 2-bicyclo[2.2.1]hept-5-enyl(dimethyl)sulfanium?
2-bicyclo[2.2.1]hept-5-enyl(dimethyl)sulfanium has a molecular weight of 155.29 g/mol, XLogP of 1.83, 1 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-enyl(dimethyl)sulfanium is sourced from PubChem (CID 163582005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).