6-Hydroxy-2-methylbenzothiazole - CAS 68867-18-5
Catalog: |
BB033650 |
Product Name: |
6-Hydroxy-2-methylbenzothiazole |
CAS: |
68867-18-5 |
Synonyms: |
2-methyl-1,3-benzothiazol-6-ol |
IUPAC Name: | 2-methyl-1,3-benzothiazol-6-ol |
Description: | 6-Hydroxy-2-methylbenzothiazole (CAS# 68867-18-5) is a useful reactant for the preparation of G protein-biased D2 dopamine receptor partial agonists. |
Molecular Weight: | 165.21 |
Molecular Formula: | C8H7NOS |
Canonical SMILES: | CC1=NC2=C(S1)C=C(C=C2)O |
InChI: | InChI=1S/C8H7NOS/c1-5-9-7-3-2-6(10)4-8(7)11-5/h2-4,10H,1H3 |
InChI Key: | ROFBPPIQUBJMRO-UHFFFAOYSA-N |
Boiling Point: | 313.7 °C at 760 mmHg |
Density: | 1.365 g/cm3 |
LogP: | 2.31030 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020264187-A1 | Compounds and methods for treating cancer, viral infections, and allergic conditions | 20190625 |
WO-2020146822-A1 | Leukotriene synthesis inhibitors | 20190111 |
CN-107829094-A | Sulfur resistive high temperature resistant corrosion inhibitor and preparation method thereof | 20171102 |
CN-107829094-B | High temperature resistant corrosion inhibitor and preparation method thereof | 20171102 |
CN-105734587-A | Novel macro-molecular corrosion inhibitor and preparation method thereof | 20141206 |
Complexity: | 153 |
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: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 165.02483502 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 61.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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