5-methyl-2,3-dimethylidenethiophene

C7H8S — CID 123325824

IUPAC5-methyl-2,3-dimethylidenethiophene
SMILESC=c1cc(C)sc1=C
InChIInChI=1S/C7H8S/c1-5-4-6(2)8-7(5)3/h4H,1,3H2,2H3
InChIKeyGJJJDDNZLBSPAB-UHFFFAOYSA-N
MW124.21 g/mol
LogP0.88
Rot. Bonds

About 5-methyl-2,3-dimethylidenethiophene

5-methyl-2,3-dimethylidenethiophene (PubChem CID 123325824) has the molecular formula C7H8S and a molecular weight of 124.21 g/mol. Its IUPAC name is 5-methyl-2,3-dimethylidenethiophene.

Molecular Properties

Compound Name5-methyl-2,3-dimethylidenethiophene
PubChem CID123325824
Molecular FormulaC7H8S
Molecular Weight124.21 g/mol
Exact Mass124.03
IUPAC Name5-methyl-2,3-dimethylidenethiophene
SMILESC=c1cc(C)sc1=C
InChIInChI=1S/C7H8S/c1-5-4-6(2)8-7(5)3/h4H,1,3H2,2H3
InChIKeyGJJJDDNZLBSPAB-UHFFFAOYSA-N
XLogP0.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.21
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,3-dimethylidenethiophene?
The IUPAC name of 5-methyl-2,3-dimethylidenethiophene (CID 123325824) is 5-methyl-2,3-dimethylidenethiophene.
What is the SMILES notation for 5-methyl-2,3-dimethylidenethiophene?
The canonical SMILES for 5-methyl-2,3-dimethylidenethiophene is C=c1cc(C)sc1=C.
What is the InChIKey of 5-methyl-2,3-dimethylidenethiophene?
The InChIKey is GJJJDDNZLBSPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8S/c1-5-4-6(2)8-7(5)3/h4H,1,3H2,2H3.
What are the key properties of 5-methyl-2,3-dimethylidenethiophene?
5-methyl-2,3-dimethylidenethiophene has a molecular weight of 124.21 g/mol, XLogP of 0.88, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,3-dimethylidenethiophene is sourced from PubChem (CID 123325824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).