2-Aminobenzothiazole-5-carbonitrile - CAS 105314-08-7
Catalog: |
BB001604 |
Product Name: |
2-Aminobenzothiazole-5-carbonitrile |
CAS: |
105314-08-7 |
Synonyms: |
2-amino-1,3-benzothiazole-5-carbonitrile; 2-amino-1,3-benzothiazole-5-carbonitrile |
IUPAC Name: | 2-amino-1,3-benzothiazole-5-carbonitrile |
Description: | 2-Aminobenzothiazole-5-carbonitrile (CAS# 105314-08-7) is a useful research chemical compound. |
Molecular Weight: | 175.21 |
Molecular Formula: | C8H5N3S |
Canonical SMILES: | C1=CC2=C(C=C1C#N)N=C(S2)N |
InChI: | InChI=1S/C8H5N3S/c9-4-5-1-2-7-6(3-5)11-8(10)12-7/h1-3H,(H2,10,11) |
InChI Key: | ZYDVWUVIXJDLIV-UHFFFAOYSA-N |
Boiling Point: | 399.7 °C at 760 mmHg |
Density: | 1.45 g/cm3 |
LogP: | 2.33138 |
Publication Number | Title | Priority Date |
US-10202388-B2 | Fused-ring compounds, pharmaceutical composition and uses thereof | 20150216 |
US-2018022752-A1 | Fused-ring compounds, pharmaceutical composition and uses thereof | 20150216 |
EP-0169459-A2 | Azo dyes | 19840724 |
EP-0169459-B1 | Azo dyes | 19840724 |
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: | 90.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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