1,3-Benzothiazole-5-carbaldehyde - CAS 394223-38-2
Catalog: |
BB023973 |
Product Name: |
1,3-Benzothiazole-5-carbaldehyde |
CAS: |
394223-38-2 |
Synonyms: |
1,3-benzothiazole-5-carboxaldehyde; 1,3-benzothiazole-5-carbaldehyde |
IUPAC Name: | 1,3-benzothiazole-5-carbaldehyde |
Description: | 1,3-Benzothiazole-5-carbaldehyde (CAS# 394223-38-2) is a useful research chemical. |
Molecular Weight: | 163.20 |
Molecular Formula: | C8H5NOS |
Canonical SMILES: | C1=CC2=C(C=C1C=O)N=CS2 |
InChI: | InChI=1S/C8H5NOS/c10-4-6-1-2-8-7(3-6)9-5-11-8/h1-5H |
InChI Key: | YMEMSAXFUBUVNV-UHFFFAOYSA-N |
Boiling Point: | 311.368 °C at 760 mmHg |
Density: | 1.384 g/cm3 |
LogP: | 2.10880 |
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-2021114314-A1 | Novel heterocyclic derivatives with cardiomyocyte proliferation activity for treatment of heart diseases | 20191214 |
WO-2021115489-A1 | Novel heterocyclic derivatives with cardiomyocyte proliferation activity for treatment of heart diseases | 20191214 |
US-2020407327-A1 | Tead inhibitors and uses thereof | 20190531 |
WO-2020243415-A2 | Tead inhibitors and uses thereof | 20190531 |
US-2021238139-A1 | Modulators of tryptophan catabolism | 20180601 |
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: | 1.5 |
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