ethyl 2-amino-benzothiazole-6-carboxylate - CAS 50850-93-6
Catalog: |
BB027236 |
Product Name: |
ethyl 2-amino-benzothiazole-6-carboxylate |
CAS: |
50850-93-6 |
Synonyms: |
2-amino-1,3-benzothiazole-6-carboxylic acid ethyl ester; ethyl 2-amino-1,3-benzothiazole-6-carboxylate |
IUPAC Name: | ethyl 2-amino-1,3-benzothiazole-6-carboxylate |
Description: | ethyl 2-amino-benzothiazole-6-carboxylate (CAS# 50850-93-6) is a compound useful in organic synthesis. |
Molecular Weight: | 222.26 |
Molecular Formula: | C10H10N2O2S |
Canonical SMILES: | CCOC(=O)C1=CC2=C(C=C1)N=C(S2)N |
InChI: | InChI=1S/C10H10N2O2S/c1-2-14-9(13)6-3-4-7-8(5-6)15-10(11)12-7/h3-5H,2H2,1H3,(H2,11,12) |
InChI Key: | VYJSGJXWKSDUSG-UHFFFAOYSA-N |
Boiling Point: | 386.8 °C at 760 mmHg |
Melting Point: | 241-243 °C |
Purity: | 96 % (HPLC) |
Density: | 1.364 g/cm3 |
Appearance: | Solid |
MDL: | MFCD00102724 |
LogP: | 2.63640 |
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 |
Publication Number | Title | Priority Date |
WO-2021014855-A1 | Compound, composition, film, laminate, and display device | 20190723 |
WO-2021014856-A1 | Composition, film, laminate, and display device | 20190723 |
JP-2021018406-A | Compositions, films, laminates and display devices | 20190723 |
CN-111378145-A | Force-induced response multiphase supramolecular block polymer | 20190101 |
WO-2020048949-A1 | New class of dna gyrase and/or topoisomerase iv inhibitors with activity against gram-positive and gram-negative bacteria | 20180903 |
PMID | Publication Date | Title | Journal |
21589352 | 20101130 | catena-Poly[lead(II)-bis-(μ-2-amino-1,3-benzothia-zole-6-carboxyl-ato)] | Acta crystallographica. Section E, Structure reports online |
21580724 | 20100324 | Ethyl 2-(tert-butoxy-carbonyl-amino)-1,3-benzothia-zole-6-carboxyl-ate | Acta crystallographica. Section E, Structure reports online |
Complexity: | 250 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 222.04629874 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 222.04629874 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 93.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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