7-thiabicyclo[4.2.0]oct-1(8)-ene

C7H10S — CID 134896334

IUPAC7-thiabicyclo[4.2.0]oct-1(8)-ene
SMILESC1=C2CCCCC2S1
InChIInChI=1S/C7H10S/c1-2-4-7-6(3-1)5-8-7/h5,7H,1-4H2
InChIKeyVFIBGQGLUCZUCI-UHFFFAOYSA-N
MW126.22 g/mol
LogP2.56
Rot. Bonds

About 7-thiabicyclo[4.2.0]oct-1(8)-ene

7-thiabicyclo[4.2.0]oct-1(8)-ene (PubChem CID 134896334) has the molecular formula C7H10S and a molecular weight of 126.22 g/mol. Its IUPAC name is 7-thiabicyclo[4.2.0]oct-1(8)-ene.

Molecular Properties

Compound Name7-thiabicyclo[4.2.0]oct-1(8)-ene
PubChem CID134896334
Molecular FormulaC7H10S
Molecular Weight126.22 g/mol
Exact Mass126.05
IUPAC Name7-thiabicyclo[4.2.0]oct-1(8)-ene
SMILESC1=C2CCCCC2S1
InChIInChI=1S/C7H10S/c1-2-4-7-6(3-1)5-8-7/h5,7H,1-4H2
InChIKeyVFIBGQGLUCZUCI-UHFFFAOYSA-N
XLogP2.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.22
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Methylidene-2-methylsulfanylcyclohexane
CID 14529195
1-(Fluoromethylsulfanyl)-4-methylidenecyclohexane
CID 90970381
2,5-dimethyl-3,4-dihydro-2H-thiopyran
CID 57321965
1-Methylidene-4-methylsulfanylcyclohexane
CID 90711684
1-Methylidene-3-methylsulfanylcyclohexane
CID 91418356
5-ethyl-3,4-dihydro-2H-thiopyran
CID 140017928
Butylsulfanylmethylidenecyclohexane
CID 85760480

Frequently Asked Questions

What is the IUPAC name of 7-thiabicyclo[4.2.0]oct-1(8)-ene?
The IUPAC name of 7-thiabicyclo[4.2.0]oct-1(8)-ene (CID 134896334) is 7-thiabicyclo[4.2.0]oct-1(8)-ene.
What is the SMILES notation for 7-thiabicyclo[4.2.0]oct-1(8)-ene?
The canonical SMILES for 7-thiabicyclo[4.2.0]oct-1(8)-ene is C1=C2CCCCC2S1.
What is the InChIKey of 7-thiabicyclo[4.2.0]oct-1(8)-ene?
The InChIKey is VFIBGQGLUCZUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10S/c1-2-4-7-6(3-1)5-8-7/h5,7H,1-4H2.
What are the key properties of 7-thiabicyclo[4.2.0]oct-1(8)-ene?
7-thiabicyclo[4.2.0]oct-1(8)-ene has a molecular weight of 126.22 g/mol, XLogP of 2.56, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-thiabicyclo[4.2.0]oct-1(8)-ene is sourced from PubChem (CID 134896334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).