ChemSpider 2D Image | Methyl (2S)-2-(1,1-dioxido-3,6-dihydro-2H-1,2-thiazin-2-yl)propanoate | C8H13NO4S

Methyl (2S)-2-(1,1-dioxido-3,6-dihydro-2H-1,2-thiazin-2-yl)propanoate

  • Molecular FormulaC8H13NO4S
  • Average mass219.258 Da
  • Monoisotopic mass219.056534 Da
  • ChemSpider ID32819722

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-(1,1-Dioxydo-3,6-dihydro-2H-1,2-thiazin-2-yl)propanoate de méthyle [French] [ACD/IUPAC Name]
2H-1,2-Thiazine-2-acetic acid, 3,6-dihydro-α-methyl-, methyl ester, 1,1-dioxide, (αS)- [ACD/Index Name]
Methyl (2S)-2-(1,1-dioxido-3,6-dihydro-2H-1,2-thiazin-2-yl)propanoate [ACD/IUPAC Name]
Methyl-(2S)-2-(1,1-dioxido-3,6-dihydro-2H-1,2-thiazin-2-yl)propanoat [German] [ACD/IUPAC Name]
(S)-Methyl 2-(1,1-dioxido-3,6-dihydro-2H-1,2-thiazin-2-yl)propanoate
(α-S)-3,6-DIHYDRO-α-METHYL-2H-1,2-THIAZINE-2-ACETIC ACID METHYL ESTER-1,1-DIOXIDE
240115-55-3 [RN]
2H-1,2-Thiazine-2-aceticacid, 3,6-dihydro-a-methyl-, methyl ester, 1,1-dioxide, (aS)-
2H-1,2-Thiazine-2-aceticacid,3,6-dihydro-a-methyl-,methyl ester,1,1-dioxide,(as)-
MFCD08460307

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 328.7±52.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 57.1±3.0 kJ/mol
    Flash Point: 152.6±30.7 °C
    Index of Refraction: 1.520
    Molar Refractivity: 51.5±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.64
    ACD/LogD (pH 5.5): 0.37
    ACD/BCF (pH 5.5): 1.12
    ACD/KOC (pH 5.5): 37.63
    ACD/LogD (pH 7.4): 0.37
    ACD/BCF (pH 7.4): 1.12
    ACD/KOC (pH 7.4): 37.63
    Polar Surface Area: 72 Å2
    Polarizability: 20.4±0.5 10-24cm3
    Surface Tension: 44.6±3.0 dyne/cm
    Molar Volume: 169.5±3.0 cm3

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