Basic Information | Post buying leads | Suppliers |
Name |
Thiamphenicol glycinate |
EINECS | 239-355-3 |
CAS No. | 2393-92-2 | Density | 1.468 g/cm3 |
PSA | 144.17000 | LogP | 2.08590 |
Solubility | N/A | Melting Point |
163-166oC |
Formula | C14H18Cl2N2O6S | Boiling Point | 672.5 °C at 760 mmHg |
Molecular Weight | 413.279 | Flash Point | 360.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 22-24/25 | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Glycine,(2R,3R)-2-[(dichloroacetyl)amino]-3-hydroxy-3-[4-(methylsulfonyl)phenyl]propylester (9CI);Glycine,2-[(dichloroacetyl)amino]-3-hydroxy-3-[4-(methylsulfonyl)phenyl]propyl ester,[R-(R*,R*)]-;Glycine, a-ester with D-threo-(+)-2,2-dichloro-N-[b-hydroxy-a-(hydroxymethyl)-p-(methylsulfonyl)phenethyl]acetamide (8CI);Acetamide,2,2-dichloro-N-[b-hydroxy-a-(hydroxymethyl)-p-(methylsulfonyl)phenethyl]-,a-ester with glycine, D-threo-(+)-(8CI);Thiamphenicol glycine ester;Thiophenicolglycinate;Urfamicin; |
The Thiamphenicol glycinate is an organic compound with the formula C14H18Cl2N2O6S. The IUPAC name of this chemical is [(2R,3R)-2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-methylsulfonylphenyl)propyl] 2-aminoacetate. With the CAS registry number 2393-92-2, it is also named as Glycine, 2-((dichloroacetyl)amino)-3-hydroxy-3-(4-(methylsulfonyl)phenyl)propyl ester, (R-(R*,R*))-.
Physical properties about Thiamphenicol glycinate are: (1)ACD/LogP: -0.86; (2)ACD/LogD (pH 5.5): -2.5; (3)ACD/LogD (pH 7.4): -1.05; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 5.22; (8)#H bond acceptors: 8; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 11; (11)Polar Surface Area: 101.6 Å2; (12)Index of Refraction: 1.574; (13)Molar Refractivity: 92.99 cm3; (14)Molar Volume: 281.4 cm3; (15)Polarizability: 36.86×10-24cm3; (16)Surface Tension: 58.8 dyne/cm; (17)Density: 1.468 g/cm3; (18)Flash Point: 360.5 °C; (19)Enthalpy of Vaporization: 103.78 kJ/mol; (20)Boiling Point: 672.5 °C at 760 mmHg; (21)Vapour Pressure: 5.26E-19 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: ClC(Cl)C(=O)N[C@@H]([C@H](O)c1ccc(cc1)S(=O)(=O)C)COC(=O)CN
(2)InChI: InChI=1/C14H18Cl2N2O6S/c1-25(22,23)9-4-2-8(3-5-9)12(20)10(7-24-11(19)6-17)18-14(21)13(15)16/h2-5,10,12-13,20H,6-7,17H2,1H3,(H,18,21)/t10-,12-/m1/s1
(3)InChIKey: AMGKHLVPQHMHGQ-ZYHUDNBSBB
(4)Std. InChI: InChI=1S/C14H18Cl2N2O6S/c1-25(22,23)9-4-2-8(3-5-9)1(20)10(7-24-11(19)6-17)18-14(21)13(15)16/h2-5,10,12-13,20H,6-7,17H2,1H3,(H,18,21)/t10-,12-/m1/s1
(5)Std. InChIKey: AMGKHLVPQHMHGQ-ZYHUDNBSSA-N