2-Amino-benzothiazole-6-carbonyl Chloride - CAS 743384-25-0
Catalog: |
BB075017 |
Product Name: |
2-Amino-benzothiazole-6-carbonyl Chloride |
CAS: |
743384-25-0 |
Synonyms: |
2-Amino-1,3-benzothiazole-6-carbonyl chloride; 2-aminobenzothiazole-6-carbonyl chloride; 2-Amino-benzothiazole-6-carbonyl chloride; 2-Aminobenzo[d]thiazole-6-carbonyl chloride; 6-Benzothiazolecarbonyl chloride,2-amino-(9ci) |
IUPAC Name: | 2-amino-1,3-benzothiazole-6-carbonyl chloride |
Molecular Weight: | 212.65 |
Molecular Formula: | C8H5N2OSCl |
Canonical SMILES: | C1=CC2=C(C=C1C(=O)Cl)SC(=N2)N |
InChI: | InChI=1S/C8H5ClN2OS/c9-7(12)4-1-2-5-6(3-4)13-8(10)11-5/h1-3H,(H2,10,11) |
InChI Key: | OUFHCLJAQQOHIJ-UHFFFAOYSA-N |
Complexity: | 226 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 211.9811117 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 211.9811117 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 84.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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