6-Nitrobenzothiazole - CAS 2942-06-5
Catalog: |
BB020193 |
Product Name: |
6-Nitrobenzothiazole |
CAS: |
2942-06-5 |
Synonyms: |
6-nitro-1,3-benzothiazole |
IUPAC Name: | 6-nitro-1,3-benzothiazole |
Description: | A related compound of 1,2,3-benzothiadiazoles as synergists against the housefly (M. domestica). |
Molecular Weight: | 180.18 |
Molecular Formula: | C7H4N2O2S |
Canonical SMILES: | C1=CC2=C(C=C1[N+](=O)[O-])SC=N2 |
InChI: | InChI=1S/C7H4N2O2S/c10-9(11)5-1-2-6-7(3-5)12-4-8-6/h1-4H |
InChI Key: | QLUFBCVWKTWKBF-UHFFFAOYSA-N |
Boiling Point: | 333.7 °C at 760 mmHg |
Density: | 1.525 g/cm3 |
MDL: | MFCD00014569 |
LogP: | 2.72770 |
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-2021119808-A1 | Antiviral compounds, compositions and methods of use | 20191216 |
WO-2021113679-A1 | Dimeric compounds as sting agonists | 20191206 |
WO-2021097110-A1 | Therapeutic compounds and methods of use | 20191113 |
WO-2016184652-A1 | Methods for producing metalated organic compounds | 20150428 |
WO-2016184652-A9 | Methods for producing metalated organic compounds | 20150428 |
PMID | Publication Date | Title | Journal |
15276301 | 20040801 | Synthesis and antileishmanial activity of (1,3-benzothiazol-2-yl) amino-9-(10H)-acridinone derivatives | European journal of medicinal chemistry |
Complexity: | 194 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 179.99934855 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 179.99934855 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 87 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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Oxazole/Thiazole
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