2-(2,5-dimethylthiophen-3-yl)acetaldehyde

C8H10OS — CID 64868768

IUPAC2-(2,5-dimethylthiophen-3-yl)acetaldehyde
SMILESCc1cc(CC=O)c(C)s1
InChIInChI=1S/C8H10OS/c1-6-5-8(3-4-9)7(2)10-6/h4-5H,3H2,1-2H3
InChIKeyHNVIQOATELCNKG-UHFFFAOYSA-N
MW154.23 g/mol
LogP2.11
Rot. Bonds2

About 2-(2,5-dimethylthiophen-3-yl)acetaldehyde

2-(2,5-dimethylthiophen-3-yl)acetaldehyde (PubChem CID 64868768) has the molecular formula C8H10OS and a molecular weight of 154.23 g/mol. Its IUPAC name is 2-(2,5-dimethylthiophen-3-yl)acetaldehyde.

Molecular Properties

Compound Name2-(2,5-dimethylthiophen-3-yl)acetaldehyde
PubChem CID64868768
Molecular FormulaC8H10OS
Molecular Weight154.23 g/mol
Exact Mass154.05
IUPAC Name2-(2,5-dimethylthiophen-3-yl)acetaldehyde
SMILESCc1cc(CC=O)c(C)s1
InChIInChI=1S/C8H10OS/c1-6-5-8(3-4-9)7(2)10-6/h4-5H,3H2,1-2H3
InChIKeyHNVIQOATELCNKG-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylthiophen-3-yl)acetaldehyde?
The IUPAC name of 2-(2,5-dimethylthiophen-3-yl)acetaldehyde (CID 64868768) is 2-(2,5-dimethylthiophen-3-yl)acetaldehyde.
What is the SMILES notation for 2-(2,5-dimethylthiophen-3-yl)acetaldehyde?
The canonical SMILES for 2-(2,5-dimethylthiophen-3-yl)acetaldehyde is Cc1cc(CC=O)c(C)s1.
What is the InChIKey of 2-(2,5-dimethylthiophen-3-yl)acetaldehyde?
The InChIKey is HNVIQOATELCNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10OS/c1-6-5-8(3-4-9)7(2)10-6/h4-5H,3H2,1-2H3.
What are the key properties of 2-(2,5-dimethylthiophen-3-yl)acetaldehyde?
2-(2,5-dimethylthiophen-3-yl)acetaldehyde has a molecular weight of 154.23 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylthiophen-3-yl)acetaldehyde is sourced from PubChem (CID 64868768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).