4-[(4-Oxo-4,5-dihydro-1,3-thiazol-2-yl)amino]benzonitrile - CAS 828298-25-5
Catalog: |
BB048736 |
Product Name: |
4-[(4-Oxo-4,5-dihydro-1,3-thiazol-2-yl)amino]benzonitrile |
CAS: |
828298-25-5 |
Synonyms: |
4-{[(2Z)-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzonitrile; 4-[(4,5-dihydro-4-oxo-2-thiazolyl)amino]benzonitrile; Benzonitrile, 4-[[(2Z)-4-oxo-2-thiazolidinylidene]amino]-; 4-[(4-oxo-1,3-thiazol-2-yl)amino]benzonitrile; 4-[(4-oxo-1,3-thiazolidin-2-ylidene)azamethyl]benzenecarbonitrile |
IUPAC Name: | 4-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]benzonitrile |
Description: | 4-[(4-Oxo-4,5-dihydro-1,3-thiazol-2-yl)amino]benzonitrile (CAS# 828298-25-5 ) is a useful research chemical. |
Molecular Weight: | 217.25 |
Molecular Formula: | C10H7N3OS |
Canonical SMILES: | C1C(=O)NC(=NC2=CC=C(C=C2)C#N)S1 |
InChI: | InChI=1S/C10H7N3OS/c11-5-7-1-3-8(4-2-7)12-10-13-9(14)6-15-10/h1-4H,6H2,(H,12,13,14) |
InChI Key: | FNKNVQWZXYUYGU-UHFFFAOYSA-N |
Density: | 1.4±0.1 g/cm3 |
Complexity: | 336 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 217.03098303 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 217.03098303 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 90.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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Related Functional Groups
Thiazolines/Thiazolidines
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