3-Methyl-2(3H)-benzothiazolone - CAS 2786-62-1
Catalog: |
BB019693 |
Product Name: |
3-Methyl-2(3H)-benzothiazolone |
CAS: |
2786-62-1 |
Synonyms: |
3-methyl-1,3-benzothiazol-2-one |
IUPAC Name: | 3-methyl-1,3-benzothiazol-2-one |
Description: | 3-Methyl-2(3H)-benzothiazolone (CAS# 2786-62-1) is a useful research chemical. |
Molecular Weight: | 165.21 |
Molecular Formula: | C8H7NOS |
Canonical SMILES: | CN1C2=CC=CC=C2SC1=O |
InChI: | InChI=1S/C8H7NOS/c1-9-6-4-2-3-5-7(6)11-8(9)10/h2-5H,1H3 |
InChI Key: | LSMMRJUHLKJNLR-UHFFFAOYSA-N |
Boiling Point: | 294.3 °C at 760 mmHg |
Melting Point: | 74-77 °C (lit.) |
Purity: | 95 % |
Density: | 1.315 g/cm3 |
Appearance: | White to tan powder, crystals, crystalline powder and/or chunks |
MDL: | MFCD00022914 |
LogP: | 1.60000 |
Publication Number | Title | Priority Date |
CN-112608917-A | High-throughput screening method for low-acetaldehyde-yield beer industrial yeast | 20210108 |
KR-102178181-B1 | Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof | 20200331 |
KR-20200076655-A | Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof | 20200331 |
US-2021155657-A1 | Separation and isolation of nucleic acids using affinity ligands bound to a solid surface | 20191125 |
WO-2021105887-A1 | Separation and isolation of nucleic acids using affinity ligands bound to a solid surface | 20191125 |
PMID | Publication Date | Title | Journal |
22629124 | 20120101 | Acceleration of anaerobic cysteine transformations to sulfane sulfur consequent to γ-glutamyl transpeptidase inhibition | TheScientificWorldJournal |
20177457 | 20090101 | Simultaneous determination of salbutamol sulphate and bromhexine hydrochloride in tablets by reverse phase liquid chromatography | Indian journal of pharmaceutical sciences |
20046758 | 20080501 | Quantitative analysis of propranolol hydrochloride by high performance thin layer chromatography | Indian journal of pharmaceutical sciences |
18337212 | 20080301 | Use of Folin-Ciocalteu phenol reagent and 3-methyl-2-benzothiazolinone hydrazine hydrochloride in the determination of oxcarbazepine in pharmaceuticals | Acta pharmaceutica (Zagreb, Croatia) |
18350124 | 20070101 | Experimental design optimization of a sequential injection method for promazine assay in bulk and pharmaceutical formulations | Journal of automated methods & management in chemistry |
Complexity: | 183 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 165.02483502 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 165.02483502 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 45.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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Oxazole/Thiazole
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