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β-D-Glucopyranoside, phenyl1-thio-

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Name

β-D-Glucopyranoside, phenyl1-thio-

EINECS 1533716-785-6
CAS No. 2936-70-1 Density 1.48 g/cm3
PSA 115.45000 LogP -0.42140
Solubility N/A Melting Point 135℃
Formula C12H16O5S Boiling Point 510.7 °C at 760 mmHg
Molecular Weight 272.322 Flash Point 262.6 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 2936-70-1 (PHENYL-BETA-D-THIOGLUCOPYRANOSIDE) Hazard Symbols IrritantXi
Synonyms

Glucopyranoside,phenyl 1-thio-, β-D-(8CI);Glucoside, phenyl 1-thio- (6CI);NSC 231833;Phenyl β-D-thioglucoside;Phenyl-1-thio-β-D-glucopyranoside;Thiophenolthio-β-glucoside;phenyl 1-thiohexopyranoside;2-(hydroxymethyl)-6-(phenylthio)tetrahydro-2H-pyran-3,4,5-triol;

Article Data 103

β-D-Glucopyranoside, phenyl1-thio- Specification

The β-D-Glucopyranoside, phenyl1-thio-, with the CAS registry number 2936-70-1, has the systematic name of phenyl 1-thiohexopyranoside. It belongs to the product category of Carbohydrates. And the molecular formula of the chemical is C12H16O5S.

The characteristics of β-D-Glucopyranoside, phenyl1-thio- are as followings: (1)ACD/LogP: -0.56; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 4; (5)#Freely Rotating Bonds: 7; (6)Polar Surface Area: 71.45 Å2; (7)Index of Refraction: 1.667; (8)Molar Refractivity: 68.27 cm3; (9)Molar Volume: 183.2 cm3; (10)Polarizability: 27.06×10-24cm3; (11)Surface Tension: 78.2 dyne/cm; (12)Density: 1.48 g/cm3; (13)Flash Point: 262.6 °C; (14)Enthalpy of Vaporization: 82.28 kJ/mol; (15)Boiling Point: 510.7 °C at 760 mmHg; (16)Vapour Pressure: 2.98E-11 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: S(c1ccccc1)C2OC(C(O)C(O)C2O)CO
(2)InChI: InChI=1/C12H16O5S/c13-6-8-9(14)10(15)11(16)12(17-8)18-7-4-2-1-3-5-7/h1-5,8-16H,6H2
(3)InChIKey: OVLYAISOYPJBLU-UHFFFAOYAJ

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