4-Bromo-6-fluoro-1,3-benzothiazole-2-thiol - CAS 786657-44-1
Catalog: |
BB072139 |
Product Name: |
4-Bromo-6-fluoro-1,3-benzothiazole-2-thiol |
CAS: |
786657-44-1 |
Synonyms: |
4-Bromo-6-fluoro-1,3-benzothiazole-2-thiol; 4-bromo-6-fluoro-3H-1,3-benzothiazole-2-thione; 4-Bromo-6-fluorobenzothiazole-2(3H)-thione |
IUPAC Name: | 4-bromo-6-fluoro-3H-1,3-benzothiazole-2-thione |
Description: | 4-Bromo-6-fluoro-1,3-benzothiazole-2-thiol |
Molecular Weight: | 264.13 |
Molecular Formula: | C7H3BrFNS2 |
Canonical SMILES: | C1=C(C=C(C2=C1SC(=S)N2)Br)F |
InChI: | InChI=1S/C7H3BrFNS2/c8-4-1-3(9)2-5-6(4)10-7(11)12-5/h1-2H,(H,10,11) |
InChI Key: | JIWVUUSBDYSYGH-UHFFFAOYSA-N |
Complexity: | 214 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 262.88743 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 262.88743 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 69.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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