3-ethyl-4-methylthiophene-2-carbaldehyde

C8H10OS — CID 82416519

IUPAC3-ethyl-4-methylthiophene-2-carbaldehyde
SMILESCCc1c(C)csc1C=O
InChIInChI=1S/C8H10OS/c1-3-7-6(2)5-10-8(7)4-9/h4-5H,3H2,1-2H3
InChIKeyMOJPALAYJXUIHN-UHFFFAOYSA-N
MW154.23 g/mol
LogP2.43
Rot. Bonds2

About 3-ethyl-4-methylthiophene-2-carbaldehyde

3-ethyl-4-methylthiophene-2-carbaldehyde (PubChem CID 82416519) has the molecular formula C8H10OS and a molecular weight of 154.23 g/mol. Its IUPAC name is 3-ethyl-4-methylthiophene-2-carbaldehyde.

Molecular Properties

Compound Name3-ethyl-4-methylthiophene-2-carbaldehyde
PubChem CID82416519
Molecular FormulaC8H10OS
Molecular Weight154.23 g/mol
Exact Mass154.05
IUPAC Name3-ethyl-4-methylthiophene-2-carbaldehyde
SMILESCCc1c(C)csc1C=O
InChIInChI=1S/C8H10OS/c1-3-7-6(2)5-10-8(7)4-9/h4-5H,3H2,1-2H3
InChIKeyMOJPALAYJXUIHN-UHFFFAOYSA-N
XLogP2.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.23
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,4-diethylthiophene-2-carbaldehyde
CID 139961983
2-formyl-4-methylthiophene-3-carboxamide
CID 164540360
3-ethyl-7-methyl-1-benzothiophene-2-carbaldehyde
CID 131124494
3-ethyl-1-benzothiophene-2-carbaldehyde
CID 82374273
2,4-dimethylthiophene-3-carbaldehyde;methanamine
CID 143797025
2-[2-(3,4-diethylthiophen-2-yl)ethenyl]-3,4-diethyl-5-methylthiophene
CID 74046561
4-ethyl-3-methyl-1-benzothiophene-6-carbaldehyde
CID 131123404
6-ethyl-3-methyl-1-benzothiophene-7-carbaldehyde
CID 130913484
5-ethyl-3-methyl-1-benzothiophene-7-carbaldehyde
CID 130854642
6-ethyl-5-methyl-1-benzothiophene-7-carbaldehyde
CID 130961943
3-ethyl-6-methyl-1-benzothiophene-2-carbaldehyde
CID 131078285
2-ethyl-5-methylbenzene-1,3-dicarbaldehyde
CID 14045532

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-methylthiophene-2-carbaldehyde?
The IUPAC name of 3-ethyl-4-methylthiophene-2-carbaldehyde (CID 82416519) is 3-ethyl-4-methylthiophene-2-carbaldehyde.
What is the SMILES notation for 3-ethyl-4-methylthiophene-2-carbaldehyde?
The canonical SMILES for 3-ethyl-4-methylthiophene-2-carbaldehyde is CCc1c(C)csc1C=O.
What is the InChIKey of 3-ethyl-4-methylthiophene-2-carbaldehyde?
The InChIKey is MOJPALAYJXUIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10OS/c1-3-7-6(2)5-10-8(7)4-9/h4-5H,3H2,1-2H3.
What are the key properties of 3-ethyl-4-methylthiophene-2-carbaldehyde?
3-ethyl-4-methylthiophene-2-carbaldehyde has a molecular weight of 154.23 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-methylthiophene-2-carbaldehyde is sourced from PubChem (CID 82416519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).