Benzothiazole-2-carboxaldehyde - CAS 6639-57-2
Catalog: |
BB033020 |
Product Name: |
Benzothiazole-2-carboxaldehyde |
CAS: |
6639-57-2 |
Synonyms: |
1,3-benzothiazole-2-carbaldehyde |
IUPAC Name: | 1,3-benzothiazole-2-carbaldehyde |
Description: | Benzothiazole-2-carboxaldehyde (CAS# 6639-57-2) is a useful research chemical. |
Molecular Weight: | 163.20 |
Molecular Formula: | C8H5NOS |
Canonical SMILES: | C1=CC=C2C(=C1)N=C(S2)C=O |
InChI: | InChI=1S/C8H5NOS/c10-5-8-9-6-3-1-2-4-7(6)11-8/h1-5H |
InChI Key: | RHKPJTFLRQNNGJ-UHFFFAOYSA-N |
Boiling Point: | 305.7 °C at 760 mmHg |
Density: | 1.384 g/cm3 |
LogP: | 2.10880 |
GHS Hazard Statement: | H302 (84.44%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P285, P301+P312, P302+P352, P304+P340, P304+P341, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P342+P311, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-111253387-A | Preparation method of fluorescent probe test paper for detecting mercury content in sewage | 20200217 |
WO-2020264187-A1 | Compounds and methods for treating cancer, viral infections, and allergic conditions | 20190625 |
CN-110229119-A | A kind of synthesis and application method of the benzothiazole bis-Schiff base fluorescent molecular probe for iron ion detection | 20190521 |
WO-2020156832-A1 | Dichroic azo-azomethine dyes for liquid crystal compositions | 20190201 |
TW-202035357-A | Dichroic azo-azomethine dyes for liquid crystal compositions | 20190201 |
Complexity: | 162 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 163.00918496 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 163.00918496 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 58.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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