2-thiophen-2-ylpropanal

C7H8OS — CID 11051743

IUPAC2-thiophen-2-ylpropanal
SMILESCC(C=O)c1cccs1
InChIInChI=1S/C7H8OS/c1-6(5-8)7-3-2-4-9-7/h2-6H,1H3
InChIKeyLWLHFHDNURUMPN-UHFFFAOYSA-N
MW140.21 g/mol
LogP2.05
Rot. Bonds2

About 2-thiophen-2-ylpropanal

2-thiophen-2-ylpropanal (PubChem CID 11051743) has the molecular formula C7H8OS and a molecular weight of 140.21 g/mol. Its IUPAC name is 2-thiophen-2-ylpropanal.

Molecular Properties

Compound Name2-thiophen-2-ylpropanal
PubChem CID11051743
Molecular FormulaC7H8OS
Molecular Weight140.21 g/mol
Exact Mass140.03
IUPAC Name2-thiophen-2-ylpropanal
SMILESCC(C=O)c1cccs1
InChIInChI=1S/C7H8OS/c1-6(5-8)7-3-2-4-9-7/h2-6H,1H3
InChIKeyLWLHFHDNURUMPN-UHFFFAOYSA-N
XLogP2.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.21
LogP ≤ 52.05
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-thiophen-2-ylpropanal?
The IUPAC name of 2-thiophen-2-ylpropanal (CID 11051743) is 2-thiophen-2-ylpropanal.
What is the SMILES notation for 2-thiophen-2-ylpropanal?
The canonical SMILES for 2-thiophen-2-ylpropanal is CC(C=O)c1cccs1.
What is the InChIKey of 2-thiophen-2-ylpropanal?
The InChIKey is LWLHFHDNURUMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8OS/c1-6(5-8)7-3-2-4-9-7/h2-6H,1H3.
What are the key properties of 2-thiophen-2-ylpropanal?
2-thiophen-2-ylpropanal has a molecular weight of 140.21 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-ylpropanal is sourced from PubChem (CID 11051743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).