2-Methylbenzothiazole - CAS 120-75-2
Catalog: |
BB004964 |
Product Name: |
2-Methylbenzothiazole |
CAS: |
120-75-2 |
Synonyms: |
2-methyl-1,3-benzothiazole |
IUPAC Name: | 2-methyl-1,3-benzothiazole |
Description: | 2-Methylbenzothiazole (CAS# 120-75-2) is a useful research chemical. |
Molecular Weight: | 149.21 |
Molecular Formula: | C8H7NS |
Canonical SMILES: | CC1=NC2=CC=CC=C2S1 |
InChI: | InChI=1S/C8H7NS/c1-6-9-7-4-2-3-5-8(7)10-6/h2-5H,1H3 |
InChI Key: | DXYYSGDWQCSKKO-UHFFFAOYSA-N |
Boiling Point: | 238 °C |
Melting Point: | 14 °C |
Purity: | 98+ % |
Density: | 1.173 g/cm3 |
Solubility: | 366.3 mg/L at 25 °C (est) |
Appearance: | Clear colorless to light amber liquid |
MDL: | MFCD00005794 |
LogP: | 2.60470 |
Publication Number | Title | Priority Date |
WO-2021122740-A1 | Polycyclic compounds for organic electroluminescent devices | 20191219 |
WO-2021122868-A1 | Compounds for electronic devices | 20191219 |
WO-2021122538-A1 | Aromatic compounds for organic electroluminescent devices | 20191218 |
WO-2021122535-A1 | Materials for organic electroluminescent devices | 20191217 |
WO-2021126973-A1 | Compounds modulating protein recruitment and/or degradation | 20191217 |
PMID | Publication Date | Title | Journal |
22286078 | 20120301 | Simultaneous determination of benzotriazole and benzothiazole derivatives in aqueous matrices by mixed-mode solid-phase extraction followed by liquid chromatography-tandem mass spectrometry | Analytical and bioanalytical chemistry |
22567563 | 20120101 | Application of 2-trichloromethylbenzimidazole in analytical chemistry: a highly selective chromogenic reagent for thin-layer chromatography and some other analytical uses | Journal of analytical methods in chemistry |
21887798 | 20110901 | Synthesis and free radical scavenging activity of coumarin derivatives containing a 2-methylbenzothiazoline motif | Archiv der Pharmazie |
21139846 | 20101110 | Recent N-atom containing compounds from indo-pacific invertebrates | Marine drugs |
19817445 | 20091112 | Searching for new cures for tuberculosis: design, synthesis, and biological evaluation of 2-methylbenzothiazoles | Journal of medicinal chemistry |
Complexity: | 126 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 149.0299204 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 149.0299204 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 41.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Benzoxazole/Benzothiazole
Oxazole/Thiazole
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS