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The Glycine, N-[(phenylthio)carbonyl]-, with the CAS registry number 21639-45-2, is also known as N-[(Phenylsulfanyl)carbonyl]glycine. This chemical's molecular formula is C9H9NO3S and molecular weight is 211.24. What's more, its IUPAC name is 2-(Phenylsulfanylcarbonylamino)acetic acid.
Physical properties about Glycine, N-[(phenylthio)carbonyl]- are: (1)ACD/LogP: 1.69; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 71.91 Å2; (7)Index of Refraction: 1.624; (8)Molar Refractivity: 54.07 cm3; (9)Molar Volume: 153 cm3; (10)Polarizability: 21.43×10-24 cm3; (11)Surface Tension: 63.3 dyne/cm; (12)Density: 1.38 g/cm3.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(Sc1ccccc1)NCC(=O)O
(2) InChI: InChI=1/C9H9NO3S/c11-8(12)6-10-9(13)14-7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12)
(3) InChIKey: WVGDORVARCNSED-UHFFFAOYAI