6-Chlorobenzoxazole-2(3H)-thione - CAS 22876-20-6
Catalog: |
BB017788 |
Product Name: |
6-Chlorobenzoxazole-2(3H)-thione |
CAS: |
22876-20-6 |
Synonyms: |
6-chloro-3H-1,3-benzoxazole-2-thione; 6-chloro-3H-1,3-benzoxazole-2-thione |
IUPAC Name: | 6-chloro-3H-1,3-benzoxazole-2-thione |
Description: | 6-Chlorobenzoxazole-2(3H)-thione (CAS# 22876-20-6) is used as a reactant in the synthesis of disulfide bond-containing ajoene analogs as quorum sensing inhibitors. |
Molecular Weight: | 185.63 |
Molecular Formula: | C7H4ClNOS |
Canonical SMILES: | C1=CC2=C(C=C1Cl)OC(=S)N2 |
InChI: | InChI=1S/C7H4ClNOS/c8-4-1-2-5-6(3-4)10-7(11)9-5/h1-3H,(H,9,11) |
InChI Key: | HAASPZUBSZGCKU-UHFFFAOYSA-N |
MDL: | MFCD00800495 |
LogP: | 2.76990 |
Publication Number | Title | Priority Date |
CN-113185475-A | Efficient and low-pollution production process of fenoxaprop-p-ethyl | 20210429 |
CN-111423392-A | Synthesis method of 2-mercapto-6-chlorobenzoxazole | 20200615 |
CN-111423392-B | Synthesis method of 2-mercapto-6-chlorobenzoxazole | 20200615 |
CN-111484585-A | Preparation method of polyacetal resin | 20200521 |
CN-110862087-A | Method and device for preparing high-purity carbonyl sulfide | 20191220 |
Complexity: | 187 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 184.9702126 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 184.9702126 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 53.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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Related Functional Groups
Benzoxazole/Benzothiazole
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