(Z)-3-Methyl-2(3H)-benzothiazolone Hydrazone - CAS 62082-97-7
Catalog: |
BB076283 |
Product Name: |
(Z)-3-Methyl-2(3H)-benzothiazolone Hydrazone |
CAS: |
62082-97-7 |
Synonyms: |
(Z)-2-Hydrazono-3-methyl-2,3-dihydrobenzo[d]thiazole |
IUPAC Name: | (Z)-(3-methyl-1,3-benzothiazol-2-ylidene)hydrazine |
Description: | (Z)-3-Methyl-2(3H)-benzothiazolone Hydrazone is a key reagent in the preparation of Azo dyes via oxidative coupling and also acts as a starting material for new thiophosphoramidates synthesis. |
Molecular Weight: | 179.24 |
Molecular Formula: | C8H9N3S |
Canonical SMILES: | CN1C2=CC=CC=C2SC1=NN |
InChI: | InChI=1S/C8H9N3S/c1-11-6-4-2-3-5-7(6)12-8(11)10-9/h2-5H,9H2,1H3/b10-8- |
InChI Key: | PHOLIFLKGONSGY-NTMALXAHSA-N |
References: | Hunig, S., et al.; Justus Liebigs Ann. Chem., 623, 191 (1959); Yosef, H. A. A., et al.; Phosphorus, Sulfur., 185, 890 (2010). |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 205 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 179.05171847 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 179.05171847 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 66.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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