2-Amino-6-ethoxybenzothiazole - CAS 94-45-1
Catalog: |
BB041330 |
Product Name: |
2-Amino-6-ethoxybenzothiazole |
CAS: |
94-45-1 |
Synonyms: |
6-ethoxy-1,3-benzothiazol-2-amine |
IUPAC Name: | 6-ethoxy-1,3-benzothiazol-2-amine |
Description: | 2-Amino-6-ethoxybenzothiazole (CAS# 94-45-1) is a useful research chemical. |
Molecular Weight: | 194.25 |
Molecular Formula: | C9H10N2OS |
Canonical SMILES: | CCOC1=CC2=C(C=C1)N=C(S2)N |
InChI: | InChI=1S/C9H10N2OS/c1-2-12-6-3-4-7-8(5-6)13-9(10)11-7/h3-5H,2H2,1H3,(H2,10,11) |
InChI Key: | KOYJWFGMEBETBU-UHFFFAOYSA-N |
Boiling Point: | 356.1 °C at 760 mmHg |
Melting Point: | 160-163 °C |
Purity: | 99.0% |
Density: | 1.303 g/cm3 |
Solubility: | less than 1 mg/mL at 73 °F |
Appearance: | Off-white powder. |
Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00005788 |
LogP: | 2.85840 |
GHS Hazard Statement: | H302 (97.73%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
KR-20210076879-A | Novel pyrimidine derivatives and use thereof | 20191216 |
WO-2021125803-A1 | Novel pyrimidin derivative and use thereof | 20191216 |
EP-3827665-A1 | Mammal kinase inhibitors to promote in vitro embryogenesis induction of plants | 20191126 |
WO-2021105182-A1 | Mammal kinase inhibitors to promote in vitro embryogenesis induction of plants | 20191126 |
JP-2020118709-A | Polymerizable composition, retardation film and manufacturing method thereof, transfer laminate, optical member and manufacturing method thereof, and display device | 20190118 |
PMID | Publication Date | Title | Journal |
21582552 | 20090325 | (E)-2-[(6-Ethoxy-benzothia-zol-2-yl)imino-meth-yl]-6-methoxy-phenol | Acta crystallographica. Section E, Structure reports online |
15962942 | 20050601 | Prediction of genotoxicity of chemical compounds by statistical learning methods | Chemical research in toxicology |
Complexity: | 179 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.05138412 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.05138412 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 76.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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