ChemSpider 2D Image | 2-[CARBOXY-(2-THIOPHEN-2-YL-ACETYLAMINO)-METHYL]-5-METHYLENE-5,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID | C14H14N2O5S2

2-[CARBOXY-(2-THIOPHEN-2-YL-ACETYLAMINO)-METHYL]-5-METHYLENE-5,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID

  • Molecular FormulaC14H14N2O5S2
  • Average mass354.401 Da
  • Monoisotopic mass354.034424 Da
  • ChemSpider ID25057866

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4S)-2-{(R)-Carboxy[(2-thienylacetyl)amino]methyl}-5-methylen-5,6-dihydro-4H-1,3-thiazin-4-carbonsäure [German] [ACD/IUPAC Name]
(4S)-2-{(R)-Carboxy[(2-thienylacetyl)amino]methyl}-5-methylene-5,6-dihydro-4H-1,3-thiazine-4-carboxylic acid [ACD/IUPAC Name]
2-[CARBOXY-(2-THIOPHEN-2-YL-ACETYLAMINO)-METHYL]-5-METHYLENE-5,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID
4H-1,3-Thiazine-2-acetic acid, 4-carboxy-5,6-dihydro-5-methylene-α-[[2-(2-thienyl)acetyl]amino]-, (αR,4S)- [ACD/Index Name]
Acide (4S)-2-[(R)-carboxy{[2-(2-thiényl)acétyl]amino}méthyl]-5-méthylène-5,6-dihydro-4H-1,3-thiazine-4-carboxylique [French] [ACD/IUPAC Name]
(4S)-2-[(R)-carboxy[2-(thiophen-2-yl)acetamido]methyl]-5-methylidene-4,6-dihydro-1,3-thiazine-4-carboxylic acid
(4S)-2-[(R)-carboxy[2-(thiophen-2-yl)acetamido]methyl]-5-methylidene-5,6-dihydro-4H-1,3-thiazine-4-carboxylic acid

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

Density: 1.6±0.1 g/cm3
Boiling Point: 686.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.7±3.0 kJ/mol
Flash Point: 368.8±31.5 °C
Index of Refraction: 1.709
Molar Refractivity: 87.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.19
ACD/LogD (pH 5.5): -3.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 170 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 67.4±7.0 dyne/cm
Molar Volume: 225.0±7.0 cm3

Click to predict properties on the Chemicalize site


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