2-bicyclo[2.2.1]hept-5-enyl(trimethyl)-λ4-sulfane

C10H18S — CID 126669398

IUPAC2-bicyclo[2.2.1]hept-5-enyl(trimethyl)-λ4-sulfane
SMILESCS(C)(C)C1CC2C=CC1C2
InChIInChI=1S/C10H18S/c1-11(2,3)10-7-8-4-5-9(10)6-8/h4-5,8-10H,6-7H2,1-3H3
InChIKeyCETLFWXJNKFMHI-UHFFFAOYSA-N
MW170.32 g/mol
LogP2.64
Rot. Bonds1

About 2-bicyclo[2.2.1]hept-5-enyl(trimethyl)-λ4-sulfane

2-bicyclo[2.2.1]hept-5-enyl(trimethyl)-λ4-sulfane (PubChem CID 126669398) has the molecular formula C10H18S and a molecular weight of 170.32 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]hept-5-enyl(trimethyl)-λ4-sulfane.

Molecular Properties

Compound Name2-bicyclo[2.2.1]hept-5-enyl(trimethyl)-λ4-sulfane
PubChem CID126669398
Molecular FormulaC10H18S
Molecular Weight170.32 g/mol
Exact Mass170.11
IUPAC Name2-bicyclo[2.2.1]hept-5-enyl(trimethyl)-λ4-sulfane
SMILESCS(C)(C)C1CC2C=CC1C2
InChIInChI=1S/C10H18S/c1-11(2,3)10-7-8-4-5-9(10)6-8/h4-5,8-10H,6-7H2,1-3H3
InChIKeyCETLFWXJNKFMHI-UHFFFAOYSA-N
XLogP2.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.32
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'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(trimethyl)-λ4-sulfane?
The IUPAC name of 2-bicyclo[2.2.1]hept-5-enyl(trimethyl)-λ4-sulfane (CID 126669398) is 2-bicyclo[2.2.1]hept-5-enyl(trimethyl)-λ4-sulfane.
What is the SMILES notation for 2-bicyclo[2.2.1]hept-5-enyl(trimethyl)-λ4-sulfane?
The canonical SMILES for 2-bicyclo[2.2.1]hept-5-enyl(trimethyl)-λ4-sulfane is CS(C)(C)C1CC2C=CC1C2.
What is the InChIKey of 2-bicyclo[2.2.1]hept-5-enyl(trimethyl)-λ4-sulfane?
The InChIKey is CETLFWXJNKFMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18S/c1-11(2,3)10-7-8-4-5-9(10)6-8/h4-5,8-10H,6-7H2,1-3H3.
What are the key properties of 2-bicyclo[2.2.1]hept-5-enyl(trimethyl)-λ4-sulfane?
2-bicyclo[2.2.1]hept-5-enyl(trimethyl)-λ4-sulfane has a molecular weight of 170.32 g/mol, XLogP of 2.64, 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(trimethyl)-λ4-sulfane is sourced from PubChem (CID 126669398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).