Ethyl 2-Aminothiophene-3-carboxylate - CAS 31891-06-2

Catalog:	BB021087
Product Name:	Ethyl 2-Aminothiophene-3-carboxylate
CAS:	31891-06-2
Synonyms:	2-amino-3-thiophenecarboxylic acid ethyl ester; ethyl 2-aminothiophene-3-carboxylate

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Computed Properties

IUPAC Name:	ethyl 2-aminothiophene-3-carboxylate
Description:	Ethyl 2-Aminothiophene-3-carboxylate (CAS# 31891-06-2) is a compound useful in organic synthesis.
Molecular Weight:	171.22
Molecular Formula:	C7H9NO2S
Canonical SMILES:	CCOC(=O)C1=C(SC=C1)N
InChI:	InChI=1S/C7H9NO2S/c1-2-10-7(9)5-3-4-11-6(5)8/h3-4H,2,8H2,1H3
InChI Key:	MKJQYFVTEPGXIE-UHFFFAOYSA-N
Boiling Point:	273.6 °C at 760 mmHg
Density:	1.262 g/cm³
Appearance:	Brown solid or crystals
MDL:	MFCD01566303
LogP:	2.08820

Publication Number	Title	Priority Date
US-2020148634-A1	Acly inhibitors and uses thereof	20181109
WO-2020097408-A1	Acly inhibitors and uses thereof	20181109
KR-20190139640-A	Composition for preventing or treating solid tumor comprising compound inhibiting interactions between AIMP2-DX2 and K-Ras and novel compound inhibiting interactions between AIMP2-DX2 and K-Ras	20180608
WO-2019235894-A1	Composition for preventing or treating solid cancer comprising compound inhibiting binding of aimp2-dx2 and k-ras and novel compound inhibiting binding of aimp2-dx2 and k-ras	20180608
AU-2018339068-A1	Combination pharmaceutical agents as RSV inhibitors	20170929

PMID	Publication Date	Title	Journal
22286128	20120129	Menin-MLL inhibitors reverse oncogenic activity of MLL fusion proteins in leukemia	Nature chemical biology

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

Complexity:	151
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	171.03539970
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	171.03539970
Rotatable Bond Count:	3
Topological Polar Surface Area:	80.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2