3,4-dimethyl-2,5-dimethylidenethiophene

C8H10S — CID 59775905

IUPAC3,4-dimethyl-2,5-dimethylidenethiophene
SMILESC=c1sc(=C)c(C)c1C
InChIInChI=1S/C8H10S/c1-5-6(2)8(4)9-7(5)3/h3-4H2,1-2H3
InChIKeyDENXRGKYPKIXSI-UHFFFAOYSA-N
MW138.23 g/mol
LogP1.19
Rot. Bonds

About 3,4-dimethyl-2,5-dimethylidenethiophene

3,4-dimethyl-2,5-dimethylidenethiophene (PubChem CID 59775905) has the molecular formula C8H10S and a molecular weight of 138.23 g/mol. Its IUPAC name is 3,4-dimethyl-2,5-dimethylidenethiophene.

Molecular Properties

Compound Name3,4-dimethyl-2,5-dimethylidenethiophene
PubChem CID59775905
Molecular FormulaC8H10S
Molecular Weight138.23 g/mol
Exact Mass138.05
IUPAC Name3,4-dimethyl-2,5-dimethylidenethiophene
SMILESC=c1sc(=C)c(C)c1C
InChIInChI=1S/C8H10S/c1-5-6(2)8(4)9-7(5)3/h3-4H2,1-2H3
InChIKeyDENXRGKYPKIXSI-UHFFFAOYSA-N
XLogP1.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.23
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-2,5-dimethylidenethiophene?
The IUPAC name of 3,4-dimethyl-2,5-dimethylidenethiophene (CID 59775905) is 3,4-dimethyl-2,5-dimethylidenethiophene.
What is the SMILES notation for 3,4-dimethyl-2,5-dimethylidenethiophene?
The canonical SMILES for 3,4-dimethyl-2,5-dimethylidenethiophene is C=c1sc(=C)c(C)c1C.
What is the InChIKey of 3,4-dimethyl-2,5-dimethylidenethiophene?
The InChIKey is DENXRGKYPKIXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10S/c1-5-6(2)8(4)9-7(5)3/h3-4H2,1-2H3.
What are the key properties of 3,4-dimethyl-2,5-dimethylidenethiophene?
3,4-dimethyl-2,5-dimethylidenethiophene has a molecular weight of 138.23 g/mol, XLogP of 1.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-2,5-dimethylidenethiophene is sourced from PubChem (CID 59775905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).