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Fmoc-(S)-2-Thienylglycine

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  • Name Fmoc-(S)-2-Thienylglycine
  • EINECSN/A
  • CAS No. 211682-13-2
  • Density1.37 g/cm3
  • PSA103.87000
  • LogP4.80340
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC21H17NO4S
  • Boiling Point617.9 °C at 760 mmHg
  • Molecular Weight379.436
  • Flash Point327.5 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 211682-13-2 (FMOC-(S)-2-THIENYLGLYCINE)
  • Hazard SymbolsN/A
  • SynonymsN/A

Fmoc-(S)-2-Thienylglycine Specification

This chemical is called Fmoc-(S)-2-Thienylglycine, and its systematic name is (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(2-thienyl)acetic acid. With the molecular formula of C21H17NO4S, its molecular weight is 379.43. The CAS registry number of this chemical is 211682-13-2.

Other characteristics of the Fmoc-(S)-2-Thienylglycine can be summarised as followings: (1)ACD/LogP: 4.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.33; (4)ACD/LogD (pH 7.4): 1.19 ; (5)#H bond acceptors: 5; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 6; (8)Polar Surface Area: 103.87 Å2; (9)Index of Refraction: 1.66; (10)Molar Refractivity: 102.19 cm3; (11)Molar Volume: 276.7 cm3; (12)Polarizability: 40.51×10-24cm3; (13)Surface Tension: 62.7 dyne/cm; (14)Density: 1.37 g/cm3; (15)Flash Point: 327.5 °C; (16)Enthalpy of Vaporization: 96.32 kJ/mol; (17)Boiling Point: 617.9 °C at 760 mmHg; (18)Vapour Pressure: 3.98E-16 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C(N[C@H](c1cccs1)C(O)=O)OCC4c2ccccc2c3ccccc34
2.InChI: InChI=1/C21H17NO4S/c23-20(24)19(18-10-5-11-27-18)22-21(25)26-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-11,17,19H,12H2,(H,22,25)(H,23,24)/t19-/m1/s1
3.InChIKey: DOQXSEXNUPRHPV-LJQANCHMBH

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