Methyl 4-Aminothiophene-2-carboxylate - CAS 89499-43-4

Name: Methyl 4-Aminothiophene-2-carboxylate
Brand: BOC Sciences
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Catalog:	BB039511
Product Name:	Methyl 4-Aminothiophene-2-carboxylate
CAS:	89499-43-4
Synonyms:	4-amino-2-thiophenecarboxylic acid methyl ester; methyl 4-aminothiophene-2-carboxylate

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Computed Properties

IUPAC Name:	methyl 4-aminothiophene-2-carboxylate
Description:	Methyl 4-Aminothiophene-2-carboxylate (CAS# 89499-43-4) is a useful research chemical.
Molecular Weight:	157.19
Molecular Formula:	C6H7NO2S
Canonical SMILES:	COC(=O)C1=CC(=CS1)N
InChI:	InChI=1S/C6H7NO2S/c1-9-6(8)5-2-4(7)3-10-5/h2-3H,7H2,1H3
InChI Key:	HCRQNZWIOUMCOW-UHFFFAOYSA-N
Boiling Point:	318.918 °C at 760 mmHg
Density:	1.32 g/cm³
Appearance:	Solid
MDL:	MFCD07368326
LogP:	1.69810

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride
[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[55441-25-3]C8H7N3O
1-(2-Cyanophenyl)urea

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]; 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2020249956-A1	Modulators of tmem16a for treating respiratory disease	20190612
WO-2019185413-A1	Pesticidal substituted cyclopropyl derivatives	20180327
US-10787435-B2	ASK1 inhibitor and preparation method and use thereof	20170122
US-10669251-B2	Quinolin-2-one derivatives	20160111
US-2019023685-A1	Quinolin-2-one derivatives	20160111

Complexity:	140
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:	1
Isotope Atom Count:	0
Monoisotopic Mass:	157.01974964
Rotatable Bond Count:	2
Topological Polar Surface Area:	80.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1