2-Amino-5-bromobenzothiazole 3-Oxide - CAS 1216671-97-4
Catalog: |
BB075076 |
Product Name: |
2-Amino-5-bromobenzothiazole 3-Oxide |
CAS: |
1216671-97-4 |
Synonyms: |
2-Amino-5-bromobenzothiazole 3-oxide; 2-Amino-5-bromobenzo[d]thiazole 3-oxide; 5-bromo-3-hydroxy-1,3-benzothiazol-2-imine; 2-amino-5-bromo-1,3-benzothiazol-3-ium-3-olate |
IUPAC Name: | 5-bromo-3-hydroxy-1,3-benzothiazol-2-imine |
Molecular Weight: | 245.1 |
Molecular Formula: | C7H5BrN2OS |
Canonical SMILES: | C1=CC2=C(C=C1Br)N(C(=N)S2)O |
InChI: | InChI=1S/C7H5BrN2OS/c8-4-1-2-6-5(3-4)10(11)7(9)12-6/h1-3,9,11H |
InChI Key: | WGPVPIMXJCKFHM-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: | 243.9306 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 243.9306 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 72.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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