2-Chloro-6-methylbenzothiazole - CAS 3507-26-4
Catalog: |
BB022411 |
Product Name: |
2-Chloro-6-methylbenzothiazole |
CAS: |
3507-26-4 |
Synonyms: |
2-chloro-6-methyl-1,3-benzothiazole |
IUPAC Name: | 2-chloro-6-methyl-1,3-benzothiazole |
Description: | 2-Chloro-6-methylbenzothiazole (CAS# 3507-26-4) is a useful reactant and reagent. It was used for the synthesis and preparation of benzothiazole-piperazine derivatives as second-generation Non-Covalent NAAA Inhibitors to treat MS and other chronic disorders. |
Molecular Weight: | 183.66 |
Molecular Formula: | C8H6ClNS |
Canonical SMILES: | CC1=CC2=C(C=C1)N=C(S2)Cl |
InChI: | InChI=1S/C8H6ClNS/c1-5-2-3-6-7(4-5)11-8(9)10-6/h2-4H,1H3 |
InChI Key: | PAKSGYIFUVNJQF-UHFFFAOYSA-N |
Boiling Point: | 268.4 °C at 760 mmHg |
Density: | 1.365 g/cm3 |
Appearance: | Solid |
MDL: | MFCD04448821 |
LogP: | 3.25810 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113045993-A | Polishing solution for processing ultra-smooth low-damage bearing steel surface and application thereof | 20210325 |
WO-2021046194-A1 | Tryptoline-based benzothiazoles and their use as antibiotics and antibiotic resistance-modifying agents | 20190903 |
US-2019292176-A1 | Bicyclic heteroaryl substituted compounds | 20160714 |
US-2021163465-A1 | Bicyclic heteroaryl substituted compounds | 20160714 |
EP-3483149-A1 | Benzo[d]thiazole derivative or salt thereof, and pharmaceutical composition including same | 20160708 |
Complexity: | 153 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 182.9909481 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 182.9909481 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 41.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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