Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4-Aminophenyl-b-D-thioglucopranoside |
EINECS | 1533716-785-6 |
CAS No. | 58737-22-7 | Density | 1.54 g/cm3 |
PSA | 141.47000 | LogP | -0.25800 |
Solubility | N/A | Melting Point |
N/A |
Formula | C12H17NO5S | Boiling Point | 586.5 °C at 760 mmHg |
Molecular Weight | 287.33 | Flash Point | 308.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
P-Aminophenyl-1-thio-beta-d-glucopyranoside;4-Aminophenyl 1-thio-β-D-glucopyranoside;4-Aminophenyl-β-D-thioglucopyranoside;4-Aminophenyl beta-D-thioglucopyranoside; |
Article Data | 2 |
The P-Aminophenyl-1-thio-beta-d-glucopyranoside with CAS registry number of 58737-22-7 is also known as 4-Aminophenyl 1-thio-β-D-glucopyranoside. The systematic name is 4-Aminophenyl 1-thiohexopyranoside. In addition, the formula is C12H17NO5S and the molecular weight is 287.33.
Physical properties about P-Aminophenyl-1-thio-beta-d-glucopyranoside are: (1)ACD/LogP: -1.94; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -1.96; (4)ACD/LogD (pH 7.4): -1.94; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.02; (8)ACD/KOC (pH 7.4): 2.09; (9)#H bond acceptors: 6; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 8; (12)Index of Refraction: 1.697; (13)Molar Refractivity: 71.89 cm3; (14)Molar Volume: 186.4 cm3; (15)Surface Tension: 89.2 dyne/cm; (16)Density: 1.54 g/cm3; (17)Flash Point: 308.5 °C; (18)Enthalpy of Vaporization: 92.12 kJ/mol; (19)Boiling Point: 586.5 °C at 760 mmHg; (20)Vapour Pressure: 1.35E-14 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
1. SMILES: S(c1ccc(N)cc1)C2OC(C(O)C(O)C2O)CO
2. InChI: InChI=1/C12H17NO5S/c13-6-1-3-7(4-2-6)19-12-11(17)10(16)9(15)8(5-14)18-12/h1-4,8-12,14-17H,5,13H2
3. InChIKey: XCNVFDDRUPMRPU-UHFFFAOYAH
4. Std. InChI: InChI=1S/C12H17NO5S/c13-6-1-3-7(4-2-6)19-12-11(17)10(16)9(15)8(5-14)18-12/h1-4,8-12,14-17H,5,13H2
5. Std. InChIKey: XCNVFDDRUPMRPU-UHFFFAOYSA-N