4-Aminophenyl-b-D-thioglucopranoside supplier

Name
P-AMINOPHENYL-1-THIO-BETA-D-GLUCOPYRANOS IDE
EINECS 1533716-785-6
CAS No. 58737-22-7
Article Data2
CAS DataBase
Density 1.54 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₇NO₅S
Boiling Point 586.5 °C at 760 mmHg
Molecular Weight 287.33
Flash Point 308.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 141.47000
LogP -0.25800

4-Aminophenyl-b-D-thioglucopranoside Specification

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

Product Name

P-AMINOPHENYL-1-THIO-BETA-D-GLUCOPYRANOS IDE

4-Aminophenyl-b-D-thioglucopranoside Specification

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