2-Phenyl-4-thiazolamine - CAS 123970-57-0
Catalog: |
BB076799 |
Product Name: |
2-Phenyl-4-thiazolamine |
CAS: |
123970-57-0 |
Synonyms: |
2-Phenyl-1,3-thiazol-4-amine |
IUPAC Name: | 2-phenyl-1,3-thiazol-4-amine |
Description: | 2-Phenyl-4-thiazolamine is a useful reagent in the preparation of nitrogen-bridgehead heterocyclic compounds by cyclization reactions of bis(methylthio)methylene malononitrile. |
Molecular Weight: | 176.23 |
Molecular Formula: | C9H8N2S |
Canonical SMILES: | C1=CC=C(C=C1)C2=NC(=CS2)N |
InChI: | InChI=1S/C9H8N2S/c10-8-6-12-9(11-8)7-4-2-1-3-5-7/h1-6H,10H2 |
InChI Key: | BVQGIJQRHQGPHD-UHFFFAOYSA-N |
References: | El-Desoky, E. et al. J. Chem. Technol. Biotechnol., 67, 153 (1996). |
Complexity: | 146 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 176.04081944 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 176.04081944 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 67.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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