2-methyl-1,3-benzothiazole-6-carboxylic acid - CAS 6941-28-2
Catalog: |
BB033815 |
Product Name: |
2-methyl-1,3-benzothiazole-6-carboxylic acid |
CAS: |
6941-28-2 |
Synonyms: |
2-methyl-1,3-benzothiazole-6-carboxylic acid; 2-methyl-1,3-benzothiazole-6-carboxylic acid |
IUPAC Name: | 2-methyl-1,3-benzothiazole-6-carboxylic acid |
Description: | 2-methyl-1,3-benzothiazole-6-carboxylic acid (CAS# 6941-28-2) is a useful research chemical, a reagent for the synthetic studies on fungicidal agents. |
Molecular Weight: | 193.22 |
Molecular Formula: | C9H7NO2S |
Canonical SMILES: | CC1=NC2=C(S1)C=C(C=C2)C(=O)O |
InChI: | InChI=1S/C9H7NO2S/c1-5-10-7-3-2-6(9(11)12)4-8(7)13-5/h2-4H,1H3,(H,11,12) |
InChI Key: | SWCQGCDTPJOMFY-UHFFFAOYSA-N |
Boiling Point: | 385.221 °C at 760 mmHg |
Density: | 1.431 g/cm3 |
MDL: | MFCD07394023 |
LogP: | 2.30290 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021191359-A1 | Monoacylglycerol lipase modulators | 20200326 |
WO-2021188907-A1 | Pyridinesulfonamide derivatives as trap1 modulators and uses thereof | 20200320 |
WO-2019243528-A1 | Oga inhibitor compounds | 20180620 |
CN-112312908-A | OGA inhibitor compounds | 20180620 |
EP-3810136-A1 | Oga inhibitor compounds | 20180620 |
Complexity: | 222 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 193.01974964 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 193.01974964 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 78.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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