7-Hydroxybenzo[d]thiazole-2-carbonitrile - CAS 7267-37-0
Catalog: |
BB064085 |
Product Name: |
7-Hydroxybenzo[d]thiazole-2-carbonitrile |
CAS: |
7267-37-0 |
Synonyms: |
7-Hydroxybenzo[d]thiazole-2-carbonitrile; 7-Hydroxy-1,3-benzothiazole-2-carbonitrile; 2-cyano-7-hydroxybenzothiazole; 7-hydroxy-2-Benzothiazolecarbonitrile |
IUPAC Name: | 7-hydroxy-1,3-benzothiazole-2-carbonitrile |
Description: | 7-Hydroxybenzo[d]thiazole-2-carbonitrile is a useful research chemical compound. |
Molecular Weight: | 176.2 |
Molecular Formula: | C8H4N2OS |
Canonical SMILES: | C1=CC2=C(C(=C1)O)SC(=N2)C#N |
InChI: | InChI=1S/C8H4N2OS/c9-4-7-10-5-2-1-3-6(11)8(5)12-7/h1-3,11H |
InChI Key: | YFUKYGGVCWVMMU-UHFFFAOYSA-N |
Complexity: | 224 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 176.00443393 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 176.00443393 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 85.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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