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Ethyl 3-amino-5-(4-chlorophenyl)thiophene-2-carboxylate

Ethyl 3-amino-5-(4-chlorophenyl)thiophene-2-carboxylate - CAS 91076-94-7

Catalog:	BB040037
Product Name:	Ethyl 3-amino-5-(4-chlorophenyl)thiophene-2-carboxylate
CAS:	91076-94-7
Synonyms:	ethyl 3-amino-5-(4-chlorophenyl)thiophene-2-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	ethyl 3-amino-5-(4-chlorophenyl)thiophene-2-carboxylate
Description:	Ethyl 3-amino-5-(4-chlorophenyl)thiophene-2-carboxylate (CAS# 91076-94-7) is a useful research chemical.
Molecular Weight:	281.76
Molecular Formula:	C13H12ClNO2S
Canonical SMILES:	CCOC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)Cl)N
InChI:	InChI=1S/C13H12ClNO2S/c1-2-17-13(16)12-10(15)7-11(18-12)8-3-5-9(14)6-4-8/h3-7H,2,15H2,1H3
InChI Key:	VOIKQRXCKXHXNF-UHFFFAOYSA-N
Boiling Point:	472.8 °C at 760 mmHg
Density:	1.323 g/cm³
MDL:	MFCD06336766
LogP:	4.40860

Publication Number	Title	Priority Date
JP-2011168556-A	Process for producing 5-aryl-3-amino-2-alkoxycarbonylthiophene compound	20100222
US-2011190285-A1	Methods of treating a botulinum toxin related condition in a subject	20080919
US-2011034521-A1	Compounds and methods for treating zinc matrix metalloprotease dependent diseases	20070928
US-2008287465-A1	Cyclic N-Hydroxy Imides as Inhibitors of Flap Endonuclease and Uses Thereof	20040721
US-7947691-B2	Cyclic n-hydroxy imides as inhibitors of flap endonuclease and uses thereof	20040721

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Related Functional Groups

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	295
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	281.0277275
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	281.0277275
Rotatable Bond Count:	4
Topological Polar Surface Area:	80.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.3