5-Amino-1,3-benzothiazole-2-carbonitrile - CAS 1513212-02-6
Catalog: |
BB054907 |
Product Name: |
5-Amino-1,3-benzothiazole-2-carbonitrile |
CAS: |
1513212-02-6 |
Synonyms: |
5-Aminobenzo[d]thiazole-2-carbonitrile; 5-amino-1,3-benzothiazole-2-carbonitrile |
IUPAC Name: | 5-amino-1,3-benzothiazole-2-carbonitrile |
Molecular Weight: | 175.21 |
Molecular Formula: | C8H5N3S |
Canonical SMILES: | C1=CC2=C(C=C1N)N=C(S2)C#N |
InChI: | InChI=1S/C8H5N3S/c9-4-8-11-6-3-5(10)1-2-7(6)12-8/h1-3H,10H2 |
InChI Key: | SSDGOGCJUKOOHE-UHFFFAOYSA-N |
Complexity: | 222 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 175.02041835 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 175.02041835 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 90.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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