4-Chloro-3-fluorobenzothioamide - CAS 177561-52-3
Catalog: |
BB013305 |
Product Name: |
4-Chloro-3-fluorobenzothioamide |
CAS: |
177561-52-3 |
Synonyms: |
4-chloro-3-fluorobenzenecarbothioamide; 4-chloro-3-fluorobenzenecarbothioamide |
IUPAC Name: | 4-chloro-3-fluorobenzenecarbothioamide |
Description: | 4-Chloro-3-fluorobenzothioamide (CAS# 177561-52-3) is a reagent used in the preparation of substituted thiazoles in the treatment of inflammation. |
Molecular Weight: | 189.64 |
Molecular Formula: | C7H5ClFNS |
Canonical SMILES: | C1=CC(=C(C=C1C(=S)N)F)Cl |
InChI: | InChI=1S/C7H5ClFNS/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H2,10,11) |
InChI Key: | LFJHOBZAKOLVBW-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
CA-2195847-A1 | Substituted thiazoles for the treatment of inflammation | 19940727 |
EP-0772606-A1 | Substituted thiazoles for the treatment of inflammation | 19940727 |
EP-1125932-A2 | Substituted thiazoles for the treatment of inflammation | 19940727 |
EP-1125932-A8 | Substituted thiazoles for the treatment of inflammation | 19940727 |
EP-1125932-A9 | Substituted thiazoles for the treatment of inflammation | 19940727 |
Complexity: | 165 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 188.9815262 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 188.9815262 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 58.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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