IUPAC Name: 6-methyl-2-sulfanylidene-1,3-benzoxazin-4-one
Empirical Formula: C9H7NO2S
Molecular Weight: 193.2224g/mol
Structure of 6-Methyl-2-thio-2H-1,3-benzoxazine-2,4(3H)-dione (CAS NO.23611-64-5):
Index of Refraction: 1.675
Molar Refractivity: 51.2 cm3
Molar Volume: 136.1 cm3
Polarizability: 20.29×10-24cm3
Surface Tension: 68 dyne/cm
Density: 1.41 g/cm3
Flash Point: °C
Enthalpy of Vaporization: kJ/mol
Boiling Point: °C at 760 mmHg
Vapour Pressure: mmHg at 25°C
Classification Code: Agricultural Chemical; Fungicide, bactericide, wood preservative
Canonical SMILES: CC1=CC2=C(C=C1)OC(=S)NC2=O
InChI: InChI=1S/C9H7NO2S/c1-5-2-3-7-6(4-5)8(11)10-9(13)12-7/h2-4H,1H3,(H,10,11,13)
InChIKey: KTPCWQGTXJDOJV-UHFFFAOYSA-N
1. | orl-mus LD50:200 mg/kg | USXXAM United States Patent Document. (Commissioner of Patents and Trademarks, Washington, DC 20231) #3595959 . |
A poison by ingestion. When heated to decomposition it emits toxic vapors of NOx and SOx.
6-Methyl-2-thio-2H-1,3-benzoxazine-2,4(3H)-dione , its cas register number is 23611-64-5. It also can be called 2H-1,3-Benzoxazine-2,4(3H)-dione, 6-methyl-2-thio- . When heated to decomposition it emits toxic vapors of NOx and SOx.
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