5-ethyl-2,3-dimethylthiophene

C8H12S — CID 528256

IUPAC5-ethyl-2,3-dimethylthiophene
SMILESCCc1cc(C)c(C)s1
InChIInChI=1S/C8H12S/c1-4-8-5-6(2)7(3)9-8/h5H,4H2,1-3H3
InChIKeyWFOUEDZBEUPAPA-UHFFFAOYSA-N
MW140.25 g/mol
LogP2.93
Rot. Bonds1

About 5-ethyl-2,3-dimethylthiophene

5-ethyl-2,3-dimethylthiophene (PubChem CID 528256) has the molecular formula C8H12S and a molecular weight of 140.25 g/mol. Its IUPAC name is 5-ethyl-2,3-dimethylthiophene.

Molecular Properties

Compound Name5-ethyl-2,3-dimethylthiophene
PubChem CID528256
Molecular FormulaC8H12S
Molecular Weight140.25 g/mol
Exact Mass140.07
IUPAC Name5-ethyl-2,3-dimethylthiophene
SMILESCCc1cc(C)c(C)s1
InChIInChI=1S/C8H12S/c1-4-8-5-6(2)7(3)9-8/h5H,4H2,1-3H3
InChIKeyWFOUEDZBEUPAPA-UHFFFAOYSA-N
XLogP2.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.25
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Pentylthiophene
CID 20995
2-Butylthiophene
CID 73818
2,5-Dimethylthiophene
CID 12514
2-Ethyl-5-methylthiophene
CID 520990
2,4-Dimethylthiophene
CID 34296
2-Propylthiophene
CID 73771
2-Butyl-5-ethylthiophene
CID 521504
2,3-Dimethylthiophene
CID 34295
3-Phenylthiophene
CID 75473
2-Phenylthiophene
CID 69999
3-Butylthiophene
CID 566339
Benzothiophene, 4,5,6,7-tetrahydro-
CID 22946

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,3-dimethylthiophene?
The IUPAC name of 5-ethyl-2,3-dimethylthiophene (CID 528256) is 5-ethyl-2,3-dimethylthiophene.
What is the SMILES notation for 5-ethyl-2,3-dimethylthiophene?
The canonical SMILES for 5-ethyl-2,3-dimethylthiophene is CCc1cc(C)c(C)s1.
What is the InChIKey of 5-ethyl-2,3-dimethylthiophene?
The InChIKey is WFOUEDZBEUPAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12S/c1-4-8-5-6(2)7(3)9-8/h5H,4H2,1-3H3.
What are the key properties of 5-ethyl-2,3-dimethylthiophene?
5-ethyl-2,3-dimethylthiophene has a molecular weight of 140.25 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,3-dimethylthiophene is sourced from PubChem (CID 528256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).