2-Methyl-5-benzothiazolol - CAS 68867-14-1
Catalog: |
BB033648 |
Product Name: |
2-Methyl-5-benzothiazolol |
CAS: |
68867-14-1 |
Synonyms: |
2-methyl-1,3-benzothiazol-5-ol |
IUPAC Name: | 2-methyl-1,3-benzothiazol-5-ol |
Description: | 2-Methyl-5-benzothiazolol (CAS# 68867-14-1) is a useful compound in study of using palladium catalyst for Suzuki-Miyaura and carbonyl enolate coupling of aryl arenesulfonates. |
Molecular Weight: | 165.21 |
Molecular Formula: | C8H7NOS |
Canonical SMILES: | CC1=NC2=C(S1)C=CC(=C2)O |
InChI: | InChI=1S/C8H7NOS/c1-5-9-7-4-6(10)2-3-8(7)11-5/h2-4,10H,1H3 |
InChI Key: | LAKVUPMDDFICNR-UHFFFAOYSA-N |
Boiling Point: | 313.7 °C at 760 mmHg |
Density: | 1.365 g/cm3 |
MDL: | MFCD00192276 |
LogP: | 2.31030 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021156970-A1 | STRUCTURE CONTAINING Sn LAYER OR Sn ALLOY LAYER | 20200205 |
JP-2019199651-A | Structure including Sn layer or Sn alloy layer | 20190719 |
JP-6606812-B2 | Structure including Sn layer or Sn alloy layer | 20190719 |
WO-2020257487-A1 | Glycolate oxidase inhibitors for the treatment of disease | 20190619 |
WO-2020146822-A1 | Leukotriene synthesis inhibitors | 20190111 |
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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