2-Methyl-5-nitrobenzothiazole - CAS 2941-66-4
Catalog: |
BB020188 |
Product Name: |
2-Methyl-5-nitrobenzothiazole |
CAS: |
2941-66-4 |
Synonyms: |
2-methyl-5-nitro-1,3-benzothiazole |
IUPAC Name: | 2-methyl-5-nitro-1,3-benzothiazole |
Description: | 2-Methyl-5-nitro-1,3-benzothiazole can be used as a amide coupling reagent. |
Molecular Weight: | 194.21 |
Molecular Formula: | C8H6N2O2S |
Canonical SMILES: | CC1=NC2=C(S1)C=CC(=C2)[N+](=O)[O-] |
InChI: | InChI=1S/C8H6N2O2S/c1-5-9-7-4-6(10(11)12)2-3-8(7)13-5/h2-4H,1H3 |
InChI Key: | VEWGTWPJKSPGCD-UHFFFAOYSA-N |
Boiling Point: | 336.5 °C at 760 mmHg |
Density: | 1.445 g/cm3 |
Appearance: | Yellow powder |
MDL: | MFCD00602735 |
LogP: | 3.03610 |
Publication Number | Title | Priority Date |
US-10399966-B2 | Compounds for treatment of trypanosomes and neurological pathogens and uses thereof | 20160121 |
US-2019031649-A1 | Compounds for treatment of trypanosomes and neurological pathogens and uses thereof | 20160121 |
WO-2017127627-A1 | Compounds for treatment of trypanosomes and neurological pathogens and uses thereof | 20160121 |
BR-PI0919894-B1 | two-part cyanoacrylate adhesive composition | 20081021 |
CA-2741329-A1 | Activators for two part cyanoacrylate adhesives | 20081021 |
Complexity: | 219 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.01499861 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.01499861 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 87 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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