2-Amino-4-(3-chlorophenyl)thiophene - CAS 1392042-82-8

Catalog:	BB008907
Product Name:	2-Amino-4-(3-chlorophenyl)thiophene
CAS:	1392042-82-8
Synonyms:	4-(3-chlorophenyl)-2-thiophenamine; 4-(3-chlorophenyl)thiophen-2-amine

Technical Data

Patents

Computed Properties

IUPAC Name:	4-(3-chlorophenyl)thiophen-2-amine
Description:	2-Amino-4-(3-chlorophenyl)thiophene (CAS# 1392042-82-8 ) is a useful research chemical.
Molecular Weight:	209.70
Molecular Formula:	C10H8ClNS
Canonical SMILES:	C1=CC(=CC(=C1)Cl)C2=CSC(=C2)N
InChI:	InChI=1S/C10H8ClNS/c11-9-3-1-2-7(4-9)8-5-10(12)13-6-8/h1-6H,12H2
InChI Key:	YBENWBHIGQOKEQ-UHFFFAOYSA-N
LogP:	4.23190

Publication Number	Title	Priority Date
US-2021230153-A1	Aryl hydrocarbon receptor (ahr) agonists and uses thereof	20191220
WO-2021127301-A1	4-phenyl-n-(phenyl)thiazol-2-amine derivatives and related compounds as aryl hydrocarbon receptor (ahr) agonists for the treatment of e.g. angiogenesis implicated or inflammatory disorders	20191220
WO-2012100732-A1	Retinoid-related orphan receptor gamma modulators, composition containing them and uses thereof	20110124
JP-5324785-B2	Heterocyclic amide compounds and uses thereof	20051028
JP-WO2007049820-A1	Heterocyclic amide compounds and uses thereof	20051028

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Related Functional Groups

Thiophenes

[934080-82-7]
5-[(3,4-Dimethylphenoxy)methyl]thiophene-2-carboxylic acid
[63273-26-7]
5-(Bromomethyl)-2-thiophenecarboxylic Acid
[13669-10-8]
Ethyl (2-thenoyl)acetate
[350990-31-7]
Ethyl 2-amino-4-(2,5-dimethylphenyl)-5-methylthiophene-3-carboxylate
[325724-66-1]
Ethyl 2-amino-4-(2-chlorophenyl)thiophene-3-carboxylate
[306934-99-6]
Ethyl 2-amino-4-(4-bromophenyl)thiophene-3-carboxylate

Complexity:	176
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	209.0065981
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	209.0065981
Rotatable Bond Count:	1
Topological Polar Surface Area:	54.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.5