β-D-Galactopyranoside, ethyl1-thio- supplier

Name
ETHYL-BETA-D-THIOGALACTOPYRANOSIDE
EINECS 813-402-3
CAS No. 56245-60-4
Article Data82
CAS DataBase
Density 1.437 g/cm³
Solubility
Melting Point 119-120oC
Formula C₈H₁₆O₅S
Boiling Point 440.767 °C at 760 mmHg
Molecular Weight 224.278
Flash Point 220.368 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Galactopyranoside,ethyl 1-thio-, β-D-(6CI,7CI);Ethyl 1-deoxy-1-thio-β-D-galactopyranoside;Ethyl 1-thio-β-D-galactopyranoside;ethyl 1-thio-β-D-galactopyranoside;
PSA 115.45000
LogP -1.46060

β-D-Galactopyranoside, ethyl1-thio- Specification

The β-D-Galactopyranoside, ethyl1-thio-, with the CAS registry number 56245-60-4, has the systematic name of ethyl 1-thio-β-D-galactopyranoside. It belongs to the product category of Carbohydrates. And the molecular formula of the chemical is C₈H₁₆O₅S. What's more, it should be stored at -20°C.

The characteristics of β-D-Galactopyranoside, ethyl1-thio- are as followings: (1)ACD/LogP: -1.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1; (4)ACD/LogD (pH 7.4): -1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4; (8)ACD/KOC (pH 7.4): 4; (9)#H bond acceptors: 5; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 115.45 Å²; (13)Index of Refraction: 1.592; (14)Molar Refractivity: 52.825 cm³; (15)Molar Volume: 156.092 cm³; (16)Polarizability: 20.941×10^-24cm³; (17)Surface Tension: 69.964 dyne/cm; (18)Density: 1.437 g/cm³; (19)Flash Point: 220.368 °C; (20)Enthalpy of Vaporization: 80.555 kJ/mol; (21)Boiling Point: 440.767 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: S(CC)[C@@H]1O[C@@H]([C@H](O)[C@H](O)[C@H]1O)CO
(2)InChI: InChI=1/C8H16O5S/c1-2-14-8-7(12)6(11)5(10)4(3-9)13-8/h4-12H,2-3H2,1H3/t4-,5+,6+,7-,8+/m1/s1
(3)InChIKey: CHAHFVCHPSPXOE-HNEXDWKRBN

Product Name

ETHYL-BETA-D-THIOGALACTOPYRANOSIDE

β-D-Galactopyranoside, ethyl1-thio- Specification

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