2-(Bromomethyl)thiazole - CAS 131654-56-3
Catalog: |
BB007463 |
Product Name: |
2-(Bromomethyl)thiazole |
CAS: |
131654-56-3 |
Synonyms: |
2-(bromomethyl)thiazole; 2-(bromomethyl)-1,3-thiazole |
IUPAC Name: | 2-(bromomethyl)-1,3-thiazole |
Description: | 2-(Bromomethyl)thiazole (CAS# 131654-56-3 ) is a useful research chemical. |
Molecular Weight: | 178.05 |
Molecular Formula: | C4H4BrNS |
Canonical SMILES: | C1=CSC(=N1)CBr |
InChI: | InChI=1S/C4H4BrNS/c5-3-4-6-1-2-7-4/h1-2H,3H2 |
InChI Key: | VMJOGHYLJSXTDW-UHFFFAOYSA-N |
Boiling Point: | 198.887 °C at 760 mmHg |
Density: | 1.752 g/cm3 |
LogP: | 2.03800 |
Publication Number | Title | Priority Date |
WO-2021038068-A1 | Alpha-d-galactopyranoside derivatives | 20190829 |
TW-202010750-A | Ectonucleotidase inhibitors and methods of use thereof | 20180621 |
US-2019389899-A1 | Ectonucleotidase inhibitors and methods of use thereof | 20180621 |
WO-2019246403-A1 | Ectonucleotidase inhibitors and methods of use thereof | 20180621 |
AU-2019288495-A1 | Ectonucleotidase inhibitors and methods of use thereof | 20180621 |
Complexity: | 59.7 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 176.92478 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 176.92478 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 41.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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