3-ethenyl-7-thiabicyclo[4.1.0]hept-1(6)-ene

C8H10S — CID 90108818

IUPAC3-ethenyl-7-thiabicyclo[4.1.0]hept-1(6)-ene
SMILESC=CC1CCC2=C(C1)S2
InChIInChI=1S/C8H10S/c1-2-6-3-4-7-8(5-6)9-7/h2,6H,1,3-5H2
InChIKeyQAVCAIRIBGGOKA-UHFFFAOYSA-N
MW138.23 g/mol
LogP2.93
Rot. Bonds1

About 3-ethenyl-7-thiabicyclo[4.1.0]hept-1(6)-ene

3-ethenyl-7-thiabicyclo[4.1.0]hept-1(6)-ene (PubChem CID 90108818) has the molecular formula C8H10S and a molecular weight of 138.23 g/mol. Its IUPAC name is 3-ethenyl-7-thiabicyclo[4.1.0]hept-1(6)-ene.

Molecular Properties

Compound Name3-ethenyl-7-thiabicyclo[4.1.0]hept-1(6)-ene
PubChem CID90108818
Molecular FormulaC8H10S
Molecular Weight138.23 g/mol
Exact Mass138.05
IUPAC Name3-ethenyl-7-thiabicyclo[4.1.0]hept-1(6)-ene
SMILESC=CC1CCC2=C(C1)S2
InChIInChI=1S/C8H10S/c1-2-6-3-4-7-8(5-6)9-7/h2,6H,1,3-5H2
InChIKeyQAVCAIRIBGGOKA-UHFFFAOYSA-N
XLogP2.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.23
LogP ≤ 52.93
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

3-ethenylbicyclo[4.2.0]oct-1(6)-ene
CID 18358762
1-ethenyl-3-methylidenecyclohexane
CID 146681743
(3E)-1-ethenyl-3-ethylidenecyclopentane
CID 155632567
2-ethenyl-1,2,3,4-tetrahydronaphthalene
CID 18314182
3-ethenylcyclopentadecan-1-one
CID 11345719
4-ethenyloxan-2-one
CID 543133
6-ethenyl-1-ethylcycloheptene
CID 141316473
ethenylcyclotetradecane
CID 123915888
ethenylcyclononane
CID 123465789
1,1-dideuterio-2-ethenylcyclopropane
CID 152527695
methyl 4-ethenyl-2-oxocyclohexane-1-carboxylate
CID 118992812
4-ethenyl-1-methylpiperidine;hydrochloride
CID 173358659

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-7-thiabicyclo[4.1.0]hept-1(6)-ene?
The IUPAC name of 3-ethenyl-7-thiabicyclo[4.1.0]hept-1(6)-ene (CID 90108818) is 3-ethenyl-7-thiabicyclo[4.1.0]hept-1(6)-ene.
What is the SMILES notation for 3-ethenyl-7-thiabicyclo[4.1.0]hept-1(6)-ene?
The canonical SMILES for 3-ethenyl-7-thiabicyclo[4.1.0]hept-1(6)-ene is C=CC1CCC2=C(C1)S2.
What is the InChIKey of 3-ethenyl-7-thiabicyclo[4.1.0]hept-1(6)-ene?
The InChIKey is QAVCAIRIBGGOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10S/c1-2-6-3-4-7-8(5-6)9-7/h2,6H,1,3-5H2.
What are the key properties of 3-ethenyl-7-thiabicyclo[4.1.0]hept-1(6)-ene?
3-ethenyl-7-thiabicyclo[4.1.0]hept-1(6)-ene has a molecular weight of 138.23 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-7-thiabicyclo[4.1.0]hept-1(6)-ene is sourced from PubChem (CID 90108818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).