3-methyl-2,5-dimethylidenethiophene

C7H8S — CID 89082146

IUPAC3-methyl-2,5-dimethylidenethiophene
SMILESC=c1cc(C)c(=C)s1
InChIInChI=1S/C7H8S/c1-5-4-6(2)8-7(5)3/h4H,2-3H2,1H3
InChIKeyVWLXIXDKNJTGHQ-UHFFFAOYSA-N
MW124.21 g/mol
LogP0.88
Rot. Bonds

About 3-methyl-2,5-dimethylidenethiophene

3-methyl-2,5-dimethylidenethiophene (PubChem CID 89082146) has the molecular formula C7H8S and a molecular weight of 124.21 g/mol. Its IUPAC name is 3-methyl-2,5-dimethylidenethiophene.

Molecular Properties

Compound Name3-methyl-2,5-dimethylidenethiophene
PubChem CID89082146
Molecular FormulaC7H8S
Molecular Weight124.21 g/mol
Exact Mass124.03
IUPAC Name3-methyl-2,5-dimethylidenethiophene
SMILESC=c1cc(C)c(=C)s1
InChIInChI=1S/C7H8S/c1-5-4-6(2)8-7(5)3/h4H,2-3H2,1H3
InChIKeyVWLXIXDKNJTGHQ-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 3-methyl-2,5-dimethylidenethiophene?
The IUPAC name of 3-methyl-2,5-dimethylidenethiophene (CID 89082146) is 3-methyl-2,5-dimethylidenethiophene.
What is the SMILES notation for 3-methyl-2,5-dimethylidenethiophene?
The canonical SMILES for 3-methyl-2,5-dimethylidenethiophene is C=c1cc(C)c(=C)s1.
What is the InChIKey of 3-methyl-2,5-dimethylidenethiophene?
The InChIKey is VWLXIXDKNJTGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8S/c1-5-4-6(2)8-7(5)3/h4H,2-3H2,1H3.
What are the key properties of 3-methyl-2,5-dimethylidenethiophene?
3-methyl-2,5-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 3-methyl-2,5-dimethylidenethiophene is sourced from PubChem (CID 89082146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).