7λ4-thiabicyclo[2.2.1]hept-2-ene 7-oxide

C6H8OS — CID 102085472

IUPAC7λ4-thiabicyclo[2.2.1]hept-2-ene 7-oxide
SMILESO=S1C2C=CC1CC2
InChIInChI=1S/C6H8OS/c7-8-5-1-2-6(8)4-3-5/h1-2,5-6H,3-4H2
InChIKeyJYZJCIHJHDVPBM-UHFFFAOYSA-N
MW128.20 g/mol
LogP0.84
Rot. Bonds

About 7λ4-thiabicyclo[2.2.1]hept-2-ene 7-oxide

7λ4-thiabicyclo[2.2.1]hept-2-ene 7-oxide (PubChem CID 102085472) has the molecular formula C6H8OS and a molecular weight of 128.20 g/mol. Its IUPAC name is 7λ4-thiabicyclo[2.2.1]hept-2-ene 7-oxide.

Molecular Properties

Compound Name7λ4-thiabicyclo[2.2.1]hept-2-ene 7-oxide
PubChem CID102085472
Molecular FormulaC6H8OS
Molecular Weight128.20 g/mol
Exact Mass128.03
IUPAC Name7λ4-thiabicyclo[2.2.1]hept-2-ene 7-oxide
SMILESO=S1C2C=CC1CC2
InChIInChI=1S/C6H8OS/c7-8-5-1-2-6(8)4-3-5/h1-2,5-6H,3-4H2
InChIKeyJYZJCIHJHDVPBM-UHFFFAOYSA-N
XLogP0.84
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 ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

7-Thianorbornene
CID 18619940
7-Thia-bicyclo[2.2.1]hepten
CID 129629856
(2S)-2-prop-2-enylthiolane 1-oxide
CID 101666748
(2R)-2-prop-2-enylthiolane 1-oxide
CID 101666749
7lambda4-Thiabicyclo[2.2.1]hept-1-ene 7-oxide
CID 123384503
Butylthiosulfolene
CID 129790363
(4R)-5-fluoro-7lambda4-thiabicyclo[2.2.1]hept-2-ene 7-oxide
CID 144020890
(E)-2-Ethylidenetetrahydrothiophene 1-oxide
CID 6421279
(1S,4R)-2lambda4-thiabicyclo[2.2.1]hept-5-ene 2-oxide
CID 15940009
2-methyl-3,6-dihydro-2H-thiopyran 1-oxide
CID 20234630
2,6-dimethyl-3,6-dihydro-2H-thiopyran 1-oxide
CID 20234631
7-Thiabicyclo[2.2.1]hept-5-ene-2-sulfonyl chloride
CID 46182816

Frequently Asked Questions

What is the IUPAC name of 7λ4-thiabicyclo[2.2.1]hept-2-ene 7-oxide?
The IUPAC name of 7λ4-thiabicyclo[2.2.1]hept-2-ene 7-oxide (CID 102085472) is 7λ4-thiabicyclo[2.2.1]hept-2-ene 7-oxide.
What is the SMILES notation for 7λ4-thiabicyclo[2.2.1]hept-2-ene 7-oxide?
The canonical SMILES for 7λ4-thiabicyclo[2.2.1]hept-2-ene 7-oxide is O=S1C2C=CC1CC2.
What is the InChIKey of 7λ4-thiabicyclo[2.2.1]hept-2-ene 7-oxide?
The InChIKey is JYZJCIHJHDVPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8OS/c7-8-5-1-2-6(8)4-3-5/h1-2,5-6H,3-4H2.
What are the key properties of 7λ4-thiabicyclo[2.2.1]hept-2-ene 7-oxide?
7λ4-thiabicyclo[2.2.1]hept-2-ene 7-oxide has a molecular weight of 128.20 g/mol, XLogP of 0.84, 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-2-ene 7-oxide is sourced from PubChem (CID 102085472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).