4-Fluoro-2-methylthiobenzothiazole - CAS 154327-25-0
Catalog: |
BB063473 |
Product Name: |
4-Fluoro-2-methylthiobenzothiazole |
CAS: |
154327-25-0 |
Synonyms: |
4-Fluoro-2-(methylthio)benzo[d]thiazole; 4-Fluoro-2-methylthiobenzothiazole; 4-fluoro-2-methylsulfanyl-1,3-benzothiazole; 4-Fluoro-2-(methylsulfanyl)-1,3-benzothiazole |
IUPAC Name: | 4-fluoro-2-methylsulfanyl-1,3-benzothiazole |
Description: | 4-Fluoro-2-methylthiobenzothiazole |
Molecular Weight: | 199.27 |
Molecular Formula: | C8H6FNS2 |
Canonical SMILES: | CSC1=NC2=C(C=CC=C2S1)F |
InChI: | InChI=1S/C8H6FNS2/c1-11-8-10-7-5(9)3-2-4-6(7)12-8/h2-4H,1H3 |
InChI Key: | PDJMWBTVBFQLAY-UHFFFAOYSA-N |
Complexity: | 167 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 198.9925697 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 198.9925697 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 66.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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