3-Hydroxythiophene-2-carbaldehyde - CAS 5118-08-1

Name: 3-Hydroxythiophene-2-carbaldehyde
Brand: BOC Sciences
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Catalog:	BB027362
Product Name:	3-Hydroxythiophene-2-carbaldehyde
CAS:	5118-08-1
Synonyms:	3-hydroxy-2-thiophenecarboxaldehyde; 3-hydroxythiophene-2-carbaldehyde

Technical Data

Patents

Computed Properties

IUPAC Name:	3-hydroxythiophene-2-carbaldehyde
Description:	3-Hydroxythiophene-2-carbaldehyde (CAS# 5118-08-1) is a useful raw material for the chemical and pharmaceutical industry. It is used as an intermediate in the preparation of thiophene-based salen-type ligands.
Molecular Weight:	128.15
Molecular Formula:	C5H4O2S
Canonical SMILES:	C1=CSC(=C1O)C=O
InChI:	InChI=1S/C5H4O2S/c6-3-5-4(7)1-2-8-5/h1-3,7H
InChI Key:	GQBCZPRINVZQJQ-UHFFFAOYSA-N
LogP:	1.21540

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[87-88-7]C6H2Cl2O4
Chloranilic acid
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[59855-96-8]C6H7NO3S
2-(Methoxymethyl)thiazole-5-carboxylic Acid
[1016519-61-1]C8H10N2O2
2-(Methyl-2-pyridylamino)acetic Acid
[17432-37-0]C11H14O
2,3,5,6-Tetramethylbenzaldehyde

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Publication Number	Title	Priority Date
WO-2021061929-A1	Bicyclic carboxylates as modulators of transporters and uses thereof	20190925
WO-2019191599-A1	Bicyclic enone carboxylates as modulators of transporters and uses thereof	20180330
AU-2019245334-A1	Bicyclic enone carboxylates as modulators of transporters and uses thereof	20180330
CN-112105356-A	Bicyclic ketene carboxylic ester compound as regulator of transport protein and application thereof	20180330
BR-112020019702-A2	BICYCLIC ENONA CARBOXYLATES AS MODULATORS OF TRANSPORTERS AND USES OF THE SAME	20180330

Complexity:	94.4
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	127.99320054
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	127.99320054
Rotatable Bond Count:	1
Topological Polar Surface Area:	65.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6