5-Chloro-2-phenylbenzothiazole - CAS 952-16-9
Catalog: |
BB041644 |
Product Name: |
5-Chloro-2-phenylbenzothiazole |
CAS: |
952-16-9 |
Synonyms: |
5-chloro-2-phenyl-1,3-benzothiazole; 5-chloro-2-phenyl-1,3-benzothiazole |
IUPAC Name: | 5-chloro-2-phenyl-1,3-benzothiazole |
Description: | 5-Chloro-2-phenylbenzothiazole (CAS# 952-16-9) is a useful research chemical. |
Molecular Weight: | 245.73 |
Molecular Formula: | C13H8ClNS |
Canonical SMILES: | C1=CC=C(C=C1)C2=NC3=C(S2)C=CC(=C3)Cl |
InChI: | InChI=1S/C13H8ClNS/c14-10-6-7-12-11(8-10)15-13(16-12)9-4-2-1-3-5-9/h1-8H |
InChI Key: | SVTDXKPYBJXBJR-UHFFFAOYSA-N |
Boiling Point: | 389 °C at 760 mmHg |
Density: | 1.339 g/cm3 |
LogP: | 4.61670 |
Publication Number | Title | Priority Date |
CN-106634801-A | Building sealant and preparation method thereof | 20151028 |
CN-104761536-A | Method of synthesizing 2-substituted benzothiazole-type derivative | 20150312 |
JP-2008266292-A | Method for producing benzoazole compound | 20070323 |
US-4166803-A | Heterocyclic benzoate ultraviolet stabilizers and their use in organic compositions | 19780109 |
US-4187213-A | Multiheterocyclic ultraviolet stabilizers and their use in organic compositions | 19780109 |
PMID | Publication Date | Title | Journal |
22969672 | 20120901 | 5-Chloro-2-phenyl-1,3-benzothia-zole | Acta crystallographica. Section E, Structure reports online |
Complexity: | 242 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 245.0065981 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 245.0065981 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 41.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.9 |
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