2-Amino-5-methyl-3-thiophenecarboxylic acid - CAS 41940-47-0

Catalog:	BB024995
Product Name:	2-Amino-5-methyl-3-thiophenecarboxylic acid
CAS:	41940-47-0
Synonyms:	2-amino-5-methylthiophene-3-carboxylic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	2-amino-5-methylthiophene-3-carboxylic acid
Description:	2-Amino-5-methyl-3-thiophenecarboxylic acid (CAS# 41940-47-0) is a useful research chemical.
Molecular Weight:	157.19
Molecular Formula:	C6H7NO2S
Canonical SMILES:	CC1=CC(=C(S1)N)C(=O)O
InChI:	InChI=1S/C6H7NO2S/c1-3-2-4(6(8)9)5(7)10-3/h2H,7H2,1H3,(H,8,9)
InChI Key:	IRVJCXLYRSTUQW-UHFFFAOYSA-N
Boiling Point:	331.556 °C at 760 mmHg
Density:	1.429 g/cm³
MDL:	MFCD05664138
LogP:	1.91810

Publication Number	Title	Priority Date
AU-2018262528-A1	Substituted bicyclic heterocyclic compounds as NADPH oxidase inhibitors	20170504
CA-3062185-A1	Substituted bicyclic heterocyclic compounds as nadph oxidase inhibitors	20170504
CN-110914263-A	Substituted bicyclic heterocyclic compounds as NADPH oxidase inhibitors	20170504
EP-3619209-A1	Substituted bicyclic heterocyclic compounds as nadph oxidase inhibitors	20170504
KR-20200013665-A	Bicyclic heterocyclic compounds substituted as NADPH oxidase inhibitors	20170504

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Related Functional Groups

Thiophenes

[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[13196-28-6]
2-Phenyl-1-(thiophen-2-yl)ethanone
[934080-82-7]
5-[(3,4-Dimethylphenoxy)methyl]thiophene-2-carboxylic acid
[40106-16-9]
Ethyl 2-amino-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
[40106-13-6]
Ethyl 2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
[36860-49-8]
Ethyl 2-amino-5,6-dihydro-4H-4,7-ethanothieno[2,3-b]pyridine-3-carboxylate

Complexity:	151
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	157.01974964
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	157.01974964
Rotatable Bond Count:	1
Topological Polar Surface Area:	91.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7