2-Mercapto-5-trifluoromethoxybenzothiazole - CAS 155559-82-3
Catalog: |
BB063751 |
Product Name: |
2-Mercapto-5-trifluoromethoxybenzothiazole |
CAS: |
155559-82-3 |
Synonyms: |
2-MERCAPTO-5-TRIFLUOROMETHOXYBENZOTHIAZOLE; 5-(Trifluoromethoxy)benzo[d]thiazole-2-thiol; 5-(trifluoromethoxy)-3H-1,3-benzothiazole-2-thione; 5-(Trifluoromethoxy)benzo[d]thiazole-2(3H)-thione |
IUPAC Name: | 5-(trifluoromethoxy)-3H-1,3-benzothiazole-2-thione |
Description: | 2-Mercapto-5-trifluoromethoxybenzothiazole |
Molecular Weight: | 251.25 |
Molecular Formula: | C8H4F3NOS2 |
Canonical SMILES: | C1=CC2=C(C=C1OC(F)(F)F)NC(=S)S2 |
InChI: | InChI=1S/C8H4F3NOS2/c9-8(10,11)13-4-1-2-6-5(3-4)12-7(14)15-6/h1-3H,(H,12,14) |
InChI Key: | FDHNATDQODTQBI-UHFFFAOYSA-N |
Complexity: | 271 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 250.96864058 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 250.96864058 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 78.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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