5-Bromo-2-thiophenecarboxamide - CAS 76371-66-9

Catalog:	BB035558
Product Name:	5-Bromo-2-thiophenecarboxamide
CAS:	76371-66-9
Synonyms:	5-bromothiophene-2-carboxamide

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Computed Properties

IUPAC Name:	5-bromothiophene-2-carboxamide
Description:	5-Bromo-2-thiophenecarboxamide (CAS# 76371-66-9) is a useful research chemical.
Molecular Weight:	206.06
Molecular Formula:	C5H4BrNOS
Canonical SMILES:	C1=C(SC(=C1)Br)C(=O)N
InChI:	InChI=1S/C5H4BrNOS/c6-4-2-1-3(9-4)5(7)8/h1-2H,(H2,7,8)
InChI Key:	MTEMDMUNZYLWSQ-UHFFFAOYSA-N
Boiling Point:	304 °C at 760 mmHg
Melting Point:	77-78 °C
Purity:	95 %
Density:	1.81 g/cm³
MDL:	MFCD00173835
LogP:	2.30980

Publication Number	Title	Priority Date
KR-20190138948-A	Composition for forming self-healing photoactive layer and Organic solar cells comprising the same	20180607
KR-102130593-B1	Composition for forming self-healing photoactive layer and Organic solar cells comprising the same	20180607
US-2015031658-A1	Ethoxyphenyl thienyl compounds and methods for the treatment ofnbacterial infections	20130614
US-9688653-B2	Ethoxyphenyl thienyl compounds and methods for the treatment of bacterial infections	20130614
JP-2015526520-A	Benzimidazole derivatives as ITK inhibitors	20120831

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	130
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	204.9197
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	204.9197
Rotatable Bond Count:	1
Topological Polar Surface Area:	71.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8