7λ4-thiabicyclo[2.2.1]hept-1-ene 7-oxide

C6H8OS — CID 123384503

IUPAC7λ4-thiabicyclo[2.2.1]hept-1-ene 7-oxide
SMILESO=S1C2=CCC1CC2
InChIInChI=1S/C6H8OS/c7-8-5-1-2-6(8)4-3-5/h1,6H,2-4H2
InChIKeyGNSJDCUMYHMZKW-UHFFFAOYSA-N
MW128.20 g/mol
LogP1.19
Rot. Bonds

About 7λ4-thiabicyclo[2.2.1]hept-1-ene 7-oxide

7λ4-thiabicyclo[2.2.1]hept-1-ene 7-oxide (PubChem CID 123384503) has the molecular formula C6H8OS and a molecular weight of 128.20 g/mol. Its IUPAC name is 7λ4-thiabicyclo[2.2.1]hept-1-ene 7-oxide.

Molecular Properties

Compound Name7λ4-thiabicyclo[2.2.1]hept-1-ene 7-oxide
PubChem CID123384503
Molecular FormulaC6H8OS
Molecular Weight128.20 g/mol
Exact Mass128.03
IUPAC Name7λ4-thiabicyclo[2.2.1]hept-1-ene 7-oxide
SMILESO=S1C2=CCC1CC2
InChIInChI=1S/C6H8OS/c7-8-5-1-2-6(8)4-3-5/h1,6H,2-4H2
InChIKeyGNSJDCUMYHMZKW-UHFFFAOYSA-N
XLogP1.19
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.20
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7λ4-thiabicyclo[2.2.1]hept-1-ene 7-oxide?
The IUPAC name of 7λ4-thiabicyclo[2.2.1]hept-1-ene 7-oxide (CID 123384503) is 7λ4-thiabicyclo[2.2.1]hept-1-ene 7-oxide.
What is the SMILES notation for 7λ4-thiabicyclo[2.2.1]hept-1-ene 7-oxide?
The canonical SMILES for 7λ4-thiabicyclo[2.2.1]hept-1-ene 7-oxide is O=S1C2=CCC1CC2.
What is the InChIKey of 7λ4-thiabicyclo[2.2.1]hept-1-ene 7-oxide?
The InChIKey is GNSJDCUMYHMZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8OS/c7-8-5-1-2-6(8)4-3-5/h1,6H,2-4H2.
What are the key properties of 7λ4-thiabicyclo[2.2.1]hept-1-ene 7-oxide?
7λ4-thiabicyclo[2.2.1]hept-1-ene 7-oxide has a molecular weight of 128.20 g/mol, XLogP of 1.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7λ4-thiabicyclo[2.2.1]hept-1-ene 7-oxide is sourced from PubChem (CID 123384503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).