4-methoxy-2,3-dimethylthiophene

C7H10OS — CID 13061861

IUPAC4-methoxy-2,3-dimethylthiophene
SMILESCOc1csc(C)c1C
InChIInChI=1S/C7H10OS/c1-5-6(2)9-4-7(5)8-3/h4H,1-3H3
InChIKeyHSHFEJHWWLAOIU-UHFFFAOYSA-N
MW142.22 g/mol
LogP2.37
Rot. Bonds1

About 4-methoxy-2,3-dimethylthiophene

4-methoxy-2,3-dimethylthiophene (PubChem CID 13061861) has the molecular formula C7H10OS and a molecular weight of 142.22 g/mol. Its IUPAC name is 4-methoxy-2,3-dimethylthiophene.

Molecular Properties

Compound Name4-methoxy-2,3-dimethylthiophene
PubChem CID13061861
Molecular FormulaC7H10OS
Molecular Weight142.22 g/mol
Exact Mass142.05
IUPAC Name4-methoxy-2,3-dimethylthiophene
SMILESCOc1csc(C)c1C
InChIInChI=1S/C7H10OS/c1-5-6(2)9-4-7(5)8-3/h4H,1-3H3
InChIKeyHSHFEJHWWLAOIU-UHFFFAOYSA-N
XLogP2.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.22
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,3-dimethylthiophene?
The IUPAC name of 4-methoxy-2,3-dimethylthiophene (CID 13061861) is 4-methoxy-2,3-dimethylthiophene.
What is the SMILES notation for 4-methoxy-2,3-dimethylthiophene?
The canonical SMILES for 4-methoxy-2,3-dimethylthiophene is COc1csc(C)c1C.
What is the InChIKey of 4-methoxy-2,3-dimethylthiophene?
The InChIKey is HSHFEJHWWLAOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10OS/c1-5-6(2)9-4-7(5)8-3/h4H,1-3H3.
What are the key properties of 4-methoxy-2,3-dimethylthiophene?
4-methoxy-2,3-dimethylthiophene has a molecular weight of 142.22 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,3-dimethylthiophene is sourced from PubChem (CID 13061861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).