6,7-dimethyl-2-thiabicyclo[3.2.0]hept-1(5)-ene

C8H12S — CID 59956550

IUPAC6,7-dimethyl-2-thiabicyclo[3.2.0]hept-1(5)-ene
SMILESCC1C2=C(SCC2)C1C
InChIInChI=1S/C8H12S/c1-5-6(2)8-7(5)3-4-9-8/h5-6H,3-4H2,1-2H3
InChIKeySKYKPBGXWDMREH-UHFFFAOYSA-N
MW140.25 g/mol
LogP2.66
Rot. Bonds

About 6,7-dimethyl-2-thiabicyclo[3.2.0]hept-1(5)-ene

6,7-dimethyl-2-thiabicyclo[3.2.0]hept-1(5)-ene (PubChem CID 59956550) has the molecular formula C8H12S and a molecular weight of 140.25 g/mol. Its IUPAC name is 6,7-dimethyl-2-thiabicyclo[3.2.0]hept-1(5)-ene.

Molecular Properties

Compound Name6,7-dimethyl-2-thiabicyclo[3.2.0]hept-1(5)-ene
PubChem CID59956550
Molecular FormulaC8H12S
Molecular Weight140.25 g/mol
Exact Mass140.07
IUPAC Name6,7-dimethyl-2-thiabicyclo[3.2.0]hept-1(5)-ene
SMILESCC1C2=C(SCC2)C1C
InChIInChI=1S/C8H12S/c1-5-6(2)8-7(5)3-4-9-8/h5-6H,3-4H2,1-2H3
InChIKeySKYKPBGXWDMREH-UHFFFAOYSA-N
XLogP2.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.25
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-2-thiabicyclo[3.2.0]hept-1(5)-ene?
The IUPAC name of 6,7-dimethyl-2-thiabicyclo[3.2.0]hept-1(5)-ene (CID 59956550) is 6,7-dimethyl-2-thiabicyclo[3.2.0]hept-1(5)-ene.
What is the SMILES notation for 6,7-dimethyl-2-thiabicyclo[3.2.0]hept-1(5)-ene?
The canonical SMILES for 6,7-dimethyl-2-thiabicyclo[3.2.0]hept-1(5)-ene is CC1C2=C(SCC2)C1C.
What is the InChIKey of 6,7-dimethyl-2-thiabicyclo[3.2.0]hept-1(5)-ene?
The InChIKey is SKYKPBGXWDMREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12S/c1-5-6(2)8-7(5)3-4-9-8/h5-6H,3-4H2,1-2H3.
What are the key properties of 6,7-dimethyl-2-thiabicyclo[3.2.0]hept-1(5)-ene?
6,7-dimethyl-2-thiabicyclo[3.2.0]hept-1(5)-ene has a molecular weight of 140.25 g/mol, XLogP of 2.66, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-2-thiabicyclo[3.2.0]hept-1(5)-ene is sourced from PubChem (CID 59956550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).