2,3-dimethyl-1,1-dimethylidenethiophene

C8H12S — CID 89005495

IUPAC2,3-dimethyl-1,1-dimethylidenethiophene
SMILESC=S1(=C)C=CC(C)=C1C
InChIInChI=1S/C8H12S/c1-7-5-6-9(3,4)8(7)2/h5-6H,3-4H2,1-2H3
InChIKeyPMXGJZGMSCFUDW-UHFFFAOYSA-N
MW140.25 g/mol
LogP2.48
Rot. Bonds

About 2,3-dimethyl-1,1-dimethylidenethiophene

2,3-dimethyl-1,1-dimethylidenethiophene (PubChem CID 89005495) has the molecular formula C8H12S and a molecular weight of 140.25 g/mol. Its IUPAC name is 2,3-dimethyl-1,1-dimethylidenethiophene.

Molecular Properties

Compound Name2,3-dimethyl-1,1-dimethylidenethiophene
PubChem CID89005495
Molecular FormulaC8H12S
Molecular Weight140.25 g/mol
Exact Mass140.07
IUPAC Name2,3-dimethyl-1,1-dimethylidenethiophene
SMILESC=S1(=C)C=CC(C)=C1C
InChIInChI=1S/C8H12S/c1-7-5-6-9(3,4)8(7)2/h5-6H,3-4H2,1-2H3
InChIKeyPMXGJZGMSCFUDW-UHFFFAOYSA-N
XLogP2.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.25
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1,1-dimethylidenethiophene?
The IUPAC name of 2,3-dimethyl-1,1-dimethylidenethiophene (CID 89005495) is 2,3-dimethyl-1,1-dimethylidenethiophene.
What is the SMILES notation for 2,3-dimethyl-1,1-dimethylidenethiophene?
The canonical SMILES for 2,3-dimethyl-1,1-dimethylidenethiophene is C=S1(=C)C=CC(C)=C1C.
What is the InChIKey of 2,3-dimethyl-1,1-dimethylidenethiophene?
The InChIKey is PMXGJZGMSCFUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12S/c1-7-5-6-9(3,4)8(7)2/h5-6H,3-4H2,1-2H3.
What are the key properties of 2,3-dimethyl-1,1-dimethylidenethiophene?
2,3-dimethyl-1,1-dimethylidenethiophene has a molecular weight of 140.25 g/mol, XLogP of 2.48, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1,1-dimethylidenethiophene is sourced from PubChem (CID 89005495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).