5,7-Dichlorobenzoxazole-2(3H)-thione - CAS 98279-11-9
Catalog: |
BB042133 |
Product Name: |
5,7-Dichlorobenzoxazole-2(3H)-thione |
CAS: |
98279-11-9 |
Synonyms: |
5,7-dichloro-3H-1,3-benzoxazole-2-thione; 5,7-dichloro-3H-1,3-benzoxazole-2-thione |
IUPAC Name: | 5,7-dichloro-3H-1,3-benzoxazole-2-thione |
Description: | 5,7-Dichlorobenzoxazole-2(3H)-thione (CAS# 98279-11-9) is a useful research chemical. |
Molecular Weight: | 220.08 |
Molecular Formula: | C7H3Cl2NOS |
Canonical SMILES: | C1=C(C=C2C(=C1Cl)OC(=S)N2)Cl |
InChI: | InChI=1S/C7H3Cl2NOS/c8-3-1-4(9)6-5(2-3)10-7(12)11-6/h1-2H,(H,10,12) |
InChI Key: | MSZMZTZSFPXXAC-UHFFFAOYSA-N |
LogP: | 3.42330 |
Publication Number | Title | Priority Date |
JP-2005007867-A | Thermal recording material | 20030523 |
AU-1185000-A | Benzoxazole derivatives and drugs containing the same as the active ingredient | 19981120 |
AU-753797-B2 | Benzoxazole derivatives and drugs containing the same as the active ingredient | 19981120 |
CA-2351446-A1 | Benzoxazole derivatives and medicaments comprising said derivatives as active ingredient | 19981120 |
DE-69919575-T2 | BENZOXAZOLE DERIVATIVES AND MEDICAMENTS CONTAINING THESE AS ACTIVE ACTIVE SUBSTANCE | 19981120 |
PMID | Publication Date | Title | Journal |
21453994 | 20110701 | Synthesis, in vitro antioxidant, anthelmintic and molecular docking studies of novel dichloro substituted benzoxazole-triazolo-thione derivatives | European journal of medicinal chemistry |
Complexity: | 214 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 218.9312403 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 218.9312403 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 53.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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