4-Methylphenyl 1-thio-b-D-glucopyranoside supplier

Name
4-Methylphenyl 1-thio-b-D-glucopyranoside
EINECS
CAS No. 1152-39-2
Article Data73
CAS DataBase
Density 1.43 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₈O₅S
Boiling Point 513.2 °C at 760 mmHg
Molecular Weight 286.349
Flash Point 264.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms B-D-Glucopyranoside,4-methylphenyl1-thio-;
PSA 115.45000
LogP -0.11300

4-Methylphenyl 1-thio-b-D-glucopyranoside Specification

The 4-Methylphenyl 1-thio-b-D-glucopyranoside, with the CAS registry number of 1152-39-2, is also known as B-D-Glucopyranoside,4-methylphenyl1-thio-. Its molecular formula is C₁₃H₁₈O₅S and molecular weight is 286.34402. What's more, its systematic name is (2R,3S,4S,5R,6S)-2-(Hydroxymethyl)-6-(p-tolylsulfanyl)tetrahydropyran-3,4,5-triol.

Physical properties about the 4-Methylphenyl 1-thio-b-D-glucopyranoside are: (1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 5; (3)#H bond donors: 4; (4)#Freely Rotating Bonds: 7; (5)Polar Surface Area: 115.45 Å²; (6)Index of Refraction: 1.653; (7)Molar Refractivity: 72.89 cm³; (8)Molar Volume: 199 cm³; (9)Surface Tension: 73.7 dyne/cm; (10)Density: 1.43 g/cm³; (11)Flash Point: 264.2 °C; (12)Enthalpy of Vaporization: 82.61 kJ/mol; (13)Boiling Point: 513.2 °C at 760 mmHg; (14)Vapour Pressure: 2.33E-11 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Cc1ccc(cc1)SC2C(C(C(C(O2)CO)O)O)O
(2) InChI: InChI=1/C13H18O5S/c1-7-2-4-8(5-3-7)19-13-12(17)11(16)10(15)9(6-14)18-13/h2-5,9-17H,6H2,1H3/t9-,10-,11+,12-,13+/m1/s1
(3) InChIKey: IQCLIQLFPVKINX-LBELIVKGBP

Product Name

4-Methylphenyl 1-thio-b-D-glucopyranoside

4-Methylphenyl 1-thio-b-D-glucopyranoside Specification

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