ChemSpider 2D Image | 2-Amino-5-(2-methyl-2-propanyl)-1,3-phenylene bis(thiocyanate) | C12H13N3S2

2-Amino-5-(2-methyl-2-propanyl)-1,3-phenylene bis(thiocyanate)

  • Molecular FormulaC12H13N3S2
  • Average mass263.382 Da
  • Monoisotopic mass263.055084 Da
  • ChemSpider ID29577403

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

{[2-AMINO-5-TERT-BUTYL-3-(CYANOSULFANYL)PHENYL]SULFANYL}FORMONITRILE
1421312-04-0 [RN]
2-Amino-5-(2-methyl-2-propanyl)-1,3-phenylenbis(thiocyanat) [German] [ACD/IUPAC Name]
2-Amino-5-(2-methyl-2-propanyl)-1,3-phenylene bis(thiocyanate) [ACD/IUPAC Name]
Bis(thiocyanate) de 2-amino-5-(2-méthyl-2-propanyl)-1,3-phénylène [French] [ACD/IUPAC Name]
Thiocyanic acid, 2-amino-5-(1,1-dimethylethyl)-1,3-phenylene ester [ACD/Index Name]
(2-amino-5-tert-butyl-3-thiocyanatophenyl) thiocyanate
4-(tert-butyl)-2,6-dithiocyanatoaniline
4-tert-butyl-2,6-bis-thiocyanato-phenylamine
MFCD23115408

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 352.2±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 59.7±3.0 kJ/mol
    Flash Point: 166.8±27.9 °C
    Index of Refraction: 1.634
    Molar Refractivity: 74.1±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 3.52
    ACD/LogD (pH 5.5): 2.98
    ACD/BCF (pH 5.5): 108.46
    ACD/KOC (pH 5.5): 996.45
    ACD/LogD (pH 7.4): 2.98
    ACD/BCF (pH 7.4): 108.46
    ACD/KOC (pH 7.4): 996.45
    Polar Surface Area: 124 Å2
    Polarizability: 29.4±0.5 10-24cm3
    Surface Tension: 65.1±5.0 dyne/cm
    Molar Volume: 207.1±5.0 cm3

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