IUPAC Name: (E)-3-[3-(1,3-Benzothiazol-2-ylsulfanylmethyl)-4-hydroxy-5-methoxyphenyl]-2-cyanoprop-2-enamide
Synonyms of Tyrphostin AG 825 (CAS NO.149092-50-2): 5-[(Benzothiazol-2-yl)thiomethyl]-4-hydroxy-3-methoxybenzylidenecyanoacetamide
CAS NO: 149092-50-2
Molecular Formula: C₁₉H₁₅N₃O₃S₂
Molecular Weight: 397.47
Molecular Structure:
H bond acceptors: 6
H bond donors: 1
Freely Rotating Bonds: 4
Polar Surface Area: 59.08 Å²
Index of Refraction: 1.471
Molar Refractivity: 61.12 cm³
Molar Volume: 218.3 cm³
Surface Tension: 37.6 dyne/cm
Density: 1.118 g/cm³
Flash Point: 148.1 °C
Enthalpy of Vaporization: 56.3 kJ/mol
Boiling Point: 321.3 °C at 760 mmHg
Vapour Pressure: 0.000301 mmHg at 25°C
Storage temp: -20°C
Solubility : DMSO: soluble
SMILES: O=C(OC(C)(C)C)N1C[C@@H](C(=O)OC)NCC1
InChI: InChI=1/C11H20N2O4/c1-11(2,3)17-10(15)13-6-5-12-8(7-13)9(14)16-4/h8,12H,5-7H2,1-4H3/t8-/m0/s1
InChIKey: QUKAHFCVKNRRBU-QMMMGPOBBB
Std. InChI: InChI=1S/C11H20N2O4/c1-11(2,3)17-10(15)13-6-5-12-8(7-13)9(14)16-4/h8,12H,5-7H2,1-4H3/t8-/m0/s1
Std. InChIKey: QUKAHFCVKNRRBU-QMMMGPOBSA-N
Product Categories of Tyrphostin AG 825 (CAS NO.149092-50-2): Protein Kinase

Safety Statements: 22-24/25
S22:Do not breathe dust.
S24/25: When Tyrphostin AG 825 (CAS NO.149092-50-2) is used,avoid contact with skin and eyes.
WGK Germany: 3