6-Chloro-4-fluoro-1,3-benzothiazol-2-amine - CAS 942473-93-0
Catalog: |
BB055521 |
Product Name: |
6-Chloro-4-fluoro-1,3-benzothiazol-2-amine |
CAS: |
942473-93-0 |
Synonyms: |
2-Amino-6-chloro-4-fluorobenzothiazole |
IUPAC Name: | 6-chloro-4-fluoro-1,3-benzothiazol-2-amine |
Description: | 6-Chloro-4-fluoro-1,3-benzothiazol-2-amine can be used to evaluate antiproliferative activity as novel apoptosis inducers. |
Molecular Weight: | 202.63 |
Molecular Formula: | C7H4N2FSCl |
Canonical SMILES: | C1=C(C=C2C(=C1F)N=C(S2)N)Cl |
InChI: | InChI=1S/C7H4ClFN2S/c8-3-1-4(9)6-5(2-3)12-7(10)11-6/h1-2H,(H2,10,11) |
InChI Key: | AHFUZIIJDNCFRZ-UHFFFAOYSA-N |
References: | Corbo, F., et.al. J. Chem., 4267564/1-4267564/5, (2016). |
Complexity: | 183 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 201.9767752 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 201.9767752 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 67.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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