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3-Isopropyl-5-phenyl-1,3,5-thiadiazinane-2,4-dione

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  • Name 3-Isopropyl-5-phenyl-1,3,5-thiadiazinane-2,4-dione
  • EINECSN/A
  • CAS No. 107484-84-4
  • Density1.268 g/cm3
  • PSA65.92000
  • LogP3.15060
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC12H14N2O2S
  • Boiling Point354.3 °C at 760 mmHg
  • Molecular Weight250.32
  • Flash Point168.1 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 107484-84-4 (3-ISOPROPYL-5-PHENYL-3,4,5,6-TETRAHYDRO-2H-1,3,5-THIADIAZOLIDINE-2,4-DIONE)
  • Hazard SymbolsN/A
  • SynonymsN/A

3-Isopropyl-5-phenyl-1,3,5-thiadiazinane-2,4-dione Specification

The 3-Isopropyl-5-phenyl-1,3,5-thiadiazinane-2,4-dione with the cas number 107484-84-4 is also called 2H-1,3,5-Thiadiazine-2,4(3H)-dione,dihydro-3-(1-methylethyl)-5-phenyl-. Its molecular formula is C12H14N2O2S. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 1.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.4; (4)ACD/LogD (pH 7.4): 1.4 ; (5)#H bond acceptors: 4; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 65.92 Å2; (9)Index of Refraction: 1.602; (10)Molar Refractivity: 67.69 cm3; (11)Molar Volume: 197.3 cm3; (12)Polarizability: 26.83×10-24cm3; (13)Surface Tension: 51.1 dyne/cm; (14)Enthalpy of Vaporization: 59.93 kJ/mol; (15)Vapour Pressure: 3.39×10-5 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)N1C(=O)N(CSC1=O)c2ccccc2
(2)InChI: InChI=1/C12H14N2O2S/c1-9(2)14-11(15)13(8-17-12(14)16)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
(3)InChIKey: GOJMUZCNDMODEZ-UHFFFAOYAT

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