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

C12H24S — CID 143703726

IUPAC2-bicyclo[2.2.1]hept-5-enyl(trimethyl)-λ4-sulfane;ethane
SMILESCC.CS(C)(C)C1CC2C=CC1C2
InChIInChI=1S/C10H18S.C2H6/c1-11(2,3)10-7-8-4-5-9(10)6-8;1-2/h4-5,8-10H,6-7H2,1-3H3;1-2H3
InChIKeyCMZGQSAPEKRQKP-UHFFFAOYSA-N
MW200.39 g/mol
LogP3.67
Rot. Bonds1

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

2-bicyclo[2.2.1]hept-5-enyl(trimethyl)-λ4-sulfane;ethane (PubChem CID 143703726) has the molecular formula C12H24S and a molecular weight of 200.39 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]hept-5-enyl(trimethyl)-λ4-sulfane;ethane.

Molecular Properties

Compound Name2-bicyclo[2.2.1]hept-5-enyl(trimethyl)-λ4-sulfane;ethane
PubChem CID143703726
Molecular FormulaC12H24S
Molecular Weight200.39 g/mol
Exact Mass200.16
IUPAC Name2-bicyclo[2.2.1]hept-5-enyl(trimethyl)-λ4-sulfane;ethane
SMILESCC.CS(C)(C)C1CC2C=CC1C2
InChIInChI=1S/C10H18S.C2H6/c1-11(2,3)10-7-8-4-5-9(10)6-8;1-2/h4-5,8-10H,6-7H2,1-3H3;1-2H3
InChIKeyCMZGQSAPEKRQKP-UHFFFAOYSA-N
XLogP3.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.39
LogP ≤ 53.67
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;ethane?
The IUPAC name of 2-bicyclo[2.2.1]hept-5-enyl(trimethyl)-λ4-sulfane;ethane (CID 143703726) is 2-bicyclo[2.2.1]hept-5-enyl(trimethyl)-λ4-sulfane;ethane.
What is the SMILES notation for 2-bicyclo[2.2.1]hept-5-enyl(trimethyl)-λ4-sulfane;ethane?
The canonical SMILES for 2-bicyclo[2.2.1]hept-5-enyl(trimethyl)-λ4-sulfane;ethane is CC.CS(C)(C)C1CC2C=CC1C2.
What is the InChIKey of 2-bicyclo[2.2.1]hept-5-enyl(trimethyl)-λ4-sulfane;ethane?
The InChIKey is CMZGQSAPEKRQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18S.C2H6/c1-11(2,3)10-7-8-4-5-9(10)6-8;1-2/h4-5,8-10H,6-7H2,1-3H3;1-2H3.
What are the key properties of 2-bicyclo[2.2.1]hept-5-enyl(trimethyl)-λ4-sulfane;ethane?
2-bicyclo[2.2.1]hept-5-enyl(trimethyl)-λ4-sulfane;ethane has a molecular weight of 200.39 g/mol, XLogP of 3.67, 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;ethane is sourced from PubChem (CID 143703726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).