bis(bicyclo[2.2.1]hept-1-ene);sulfane

C14H22S — CID 89183928

IUPACbis(bicyclo[2.2.1]hept-1-ene);sulfane
SMILESC1=C2CCC(C1)C2.C1=C2CCC(C1)C2.S
InChIInChI=1S/2C7H10.H2S/c2*1-2-7-4-3-6(1)5-7;/h2*1,7H,2-5H2;1H2
InChIKeyKTXNDFTUSGTERE-UHFFFAOYSA-N
MW222.40 g/mol
LogP4.35
Rot. Bonds

About bis(bicyclo[2.2.1]hept-1-ene);sulfane

bis(bicyclo[2.2.1]hept-1-ene);sulfane (PubChem CID 89183928) has the molecular formula C14H22S and a molecular weight of 222.40 g/mol. Its IUPAC name is bis(bicyclo[2.2.1]hept-1-ene);sulfane.

Molecular Properties

Compound Namebis(bicyclo[2.2.1]hept-1-ene);sulfane
PubChem CID89183928
Molecular FormulaC14H22S
Molecular Weight222.40 g/mol
Exact Mass222.14
IUPAC Namebis(bicyclo[2.2.1]hept-1-ene);sulfane
SMILESC1=C2CCC(C1)C2.C1=C2CCC(C1)C2.S
InChIInChI=1S/2C7H10.H2S/c2*1-2-7-4-3-6(1)5-7;/h2*1,7H,2-5H2;1H2
InChIKeyKTXNDFTUSGTERE-UHFFFAOYSA-N
XLogP4.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.40
LogP ≤ 54.35
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 bis(bicyclo[2.2.1]hept-1-ene);sulfane?
The IUPAC name of bis(bicyclo[2.2.1]hept-1-ene);sulfane (CID 89183928) is bis(bicyclo[2.2.1]hept-1-ene);sulfane.
What is the SMILES notation for bis(bicyclo[2.2.1]hept-1-ene);sulfane?
The canonical SMILES for bis(bicyclo[2.2.1]hept-1-ene);sulfane is C1=C2CCC(C1)C2.C1=C2CCC(C1)C2.S.
What is the InChIKey of bis(bicyclo[2.2.1]hept-1-ene);sulfane?
The InChIKey is KTXNDFTUSGTERE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H10.H2S/c2*1-2-7-4-3-6(1)5-7;/h2*1,7H,2-5H2;1H2.
What are the key properties of bis(bicyclo[2.2.1]hept-1-ene);sulfane?
bis(bicyclo[2.2.1]hept-1-ene);sulfane has a molecular weight of 222.40 g/mol, XLogP of 4.35, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(bicyclo[2.2.1]hept-1-ene);sulfane is sourced from PubChem (CID 89183928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).