2-Amino-6-methoxybenzothiazole - CAS 1747-60-0
Catalog: |
BB013040 |
Product Name: |
2-Amino-6-methoxybenzothiazole |
CAS: |
1747-60-0 |
Synonyms: |
6-methoxy-1,3-benzothiazol-2-amine |
IUPAC Name: | 6-methoxy-1,3-benzothiazol-2-amine |
Description: | 2-Amino-6-methoxybenzothiazole (CAS# 1747-60-0) is an intermediate used to prepare novel series of Schiff bases and 4-thiazolidinones. It is also used in the synthesis of 2-cyano-6-methoxybenzothiazole. |
Molecular Weight: | 180.23 |
Molecular Formula: | C8H8N2OS |
Canonical SMILES: | COC1=CC2=C(C=C1)N=C(S2)N |
InChI: | InChI=1S/C8H8N2OS/c1-11-5-2-3-6-7(4-5)12-8(9)10-6/h2-4H,1H3,(H2,9,10) |
InChI Key: | KZHGPDSVHSDCMX-UHFFFAOYSA-N |
Boiling Point: | 240 °C |
Melting Point: | 165-167 °C (lit.) |
Purity: | 99 % |
Density: | 1.359 g/cm3 |
Solubility: | less than 1 mg/mL at 70 °F |
Appearance: | Fine off-white to light tan powder. |
MDL: | MFCD00005787 |
LogP: | 2.46830 |
GHS Hazard Statement: | H302 (97.83%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22242164 | 20120101 | Hydroxybenzothiazoles as new nonsteroidal inhibitors of 17β-hydroxysteroid dehydrogenase type 1 (17β-HSD1) | PloS one |
21583070 | 20090507 | Dimethyl [(4-fluoro-phen-yl)(6-methoxy-benzothia-zol-2-ylamino)meth-yl]phospho-nate | Acta crystallographica. Section E, Structure reports online |
15962942 | 20050601 | Prediction of genotoxicity of chemical compounds by statistical learning methods | Chemical research in toxicology |
Complexity: | 167 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.03573406 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.03573406 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 76.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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