2-Amino-4-chlorobenzothiazole - CAS 19952-47-7
Catalog: |
BB015405 |
Product Name: |
2-Amino-4-chlorobenzothiazole |
CAS: |
19952-47-7 |
Synonyms: |
4-chloro-1,3-benzothiazol-2-amine |
IUPAC Name: | 4-chloro-1,3-benzothiazol-2-amine |
Description: | 2-Amino-4-chlorobenzothiazole (CAS# 19952-47-7) is a benzothiazole derivative that shows in vivo antiviral effects against various influenza A2 strains. |
Molecular Weight: | 184.65 |
Molecular Formula: | C7H5ClN2S |
Canonical SMILES: | C1=CC2=C(C(=C1)Cl)N=C(S2)N |
InChI: | InChI=1S/C7H5ClN2S/c8-4-2-1-3-5-6(4)10-7(9)11-5/h1-3H,(H2,9,10) |
InChI Key: | OEQQFQXMCPMEIH-UHFFFAOYSA-N |
Boiling Point: | 344.3 °C at 760 mmHg |
Melting Point: | 397 to 401 °F |
Purity: | 98.0% |
Density: | 1.532 g/cm3 |
Solubility: | >27.7 [ug/mL] (The mean of the results at pH 7.4) |
Appearance: | 2-amino-4-chlorobenzothiazole is a cream colored crystalline solid |
MDL: | MFCD00005791 |
LogP: | 3.11310 |
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 |
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PMID | Publication Date | Title | Journal |
22064942 | 20111001 | N-(4-Chloro-1,3-benzothia-zol-2-yl)-2-(3-methyl-phen-yl)acetamide monohydrate | Acta crystallographica. Section E, Structure reports online |
21126022 | 20110113 | Virtual screening identification of nonfolate compounds, including a CNS drug, as antiparasitic agents inhibiting pteridine reductase | Journal of medicinal chemistry |
15962942 | 20050601 | Prediction of genotoxicity of chemical compounds by statistical learning methods | Chemical research in toxicology |
Complexity: | 155 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 183.9861970 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 183.9861970 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 67.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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