LW1

thiophene-2-carbaldehyde

Created:	2018-04-20
Last modified:	2024-09-27

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Chemical Details
Formal Charge	0
Atom Count	11
Chiral Atom Count	0
Bond Count	11
Aromatic Bond Count	5

2D diagram of LW1

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Chemical Component Summary
Name	thiophene-2-carbaldehyde
Systematic Name (OpenEye OEToolkits)	thiophene-2-carbaldehyde
Formula	C₅ H₄ O S
Molecular Weight	112.15
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C(c1cccs1)=O
SMILES	CACTVS	3.385	O=Cc1sccc1
SMILES	OpenEye OEToolkits	2.0.6	c1cc(sc1)C=O
Canonical SMILES	CACTVS	3.385	O=Cc1sccc1
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1cc(sc1)C=O
InChI	InChI	1.03	InChI=1S/C5H4OS/c6-4-5-2-1-3-7-5/h1-4H
InChIKey	InChI	1.03	CNUDBTRUORMMPA-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	7364
ChEMBL	CHEMBL328441
ChEBI	CHEBI:87301

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.