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10593-29-0

Basic Information
CAS No.: 10593-29-0
Name: 1-THIO-BETA-D-GLUCOSE SODIUM SALT
Article Data: 3
Molecular Structure:
Molecular Structure of 10593-29-0 (1-THIO-BETA-D-GLUCOSE SODIUM SALT)
Formula: C6H12NaO5S
Molecular Weight: 218.206
Synonyms: Glucopyranose,1-thio-, monosodium salt, b-D- (8CI);b-D-Glucopyranose,1-thio-, monosodium salt (9CI);1-Thio-b-D-glucopyranose sodium salt;Thioglucose sodium salt;
EINECS: 234-200-6
Melting Point: 173 °C
Boiling Point: 432.6 °C at 760 mmHg
Flash Point: 215.5 °C
Solubility: Soluble in water
Appearance: White to off-white solid
Safety: 6-24/25
PSA: 90.15000
LogP: -2.66680
Synthetic route
19879-84-6

tetraacetyl thioglucose

10593-29-0

sodium 1-thio-β-D-glucopyranoside

Conditions
ConditionsYield
With sodium methylate In methanol for 0.25h; Ambient temperature;
10593-29-0

sodium 1-thio-β-D-glucopyranoside

Conditions
ConditionsYield
With sodium methylate In methanol at 0 - 20℃;
50-99-7

D-glucose

10593-29-0

sodium 1-thio-β-D-glucopyranoside

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: 2-chloro-1,3-dimethylimidazolinium chloride; triethylamine / water-d2; acetonitrile / 0.05 h / 0 °C
1.2: 1.5 h / 0 °C
2.1: sodiumsulfide nonahydrate / water-d2 / 1 h / 20 °C
View Scheme

C6H11O8S2(1-)*Na(1+)

10593-29-0

sodium 1-thio-β-D-glucopyranoside

Conditions
ConditionsYield
With sodiumsulfide nonahydrate In water-d2 at 20℃; for 1h; Solvent;
542-69-8

1-iodo-butane

10593-29-0

sodium 1-thio-β-D-glucopyranoside

85618-17-3

n-butyl 1-thio-β-D-glucopyranoside

Conditions
ConditionsYield
In methanol at 20℃; for 1h;100%
16258-05-2

D,L-2-amino-5-hexenoic acid

10593-29-0

sodium 1-thio-β-D-glucopyranoside

1195070-24-6

2-amino-6-(1-thio-β-D-glucopyranosyl)hexanoic acid

Conditions
ConditionsYield
With 2,2’-azobis[2-(2-imidazolin-2-yl)propane]dihydrochloride at 20℃; pH=4; aq. acetate buffer; regioselective reaction;98%
10593-29-0

sodium 1-thio-β-D-glucopyranoside

bis(2-phenylpyridyl)[5-pentafluorophenyldipyrrianto]iridium(III)

bis(2-phenylpyridyl){5-[2,3,5,6-tetrafluoro-4-(1'-thio-β-D-glucosyl)phenyl]dipyrrinato}iridium(III)

Conditions
ConditionsYield
In N,N-dimethyl-formamide at 20℃; for 0.333333h;98%
10593-29-0

sodium 1-thio-β-D-glucopyranoside

2,6,7-trimethyl-3-chloronaphthazarin

5,8-dihydroxy-3-(β-D-glucopyranosyl-1-thio)-2,6,7-trimethylnaphthalene-1,4-dione

Conditions
ConditionsYield
In methanol; acetone at 20℃; for 5h;96%
1454932-56-9

C14H13ClO4

10593-29-0

sodium 1-thio-β-D-glucopyranoside

5,8-dihydroxy-3-(β-D-glucopyranosyl-1-thio)-6,7-dimethyl-2-ethylnaphthalene-1,4-dione

Conditions
ConditionsYield
In methanol; acetone at 20℃; for 5h;96%
10593-29-0

sodium 1-thio-β-D-glucopyranoside

16817-38-2

(4S)-2,2-dioxo-1,2,3-oxathiazolidinone-4-carboxylic acid

(R)-2-Sulfoamino-3-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-ylsulfanyl)-propionic acid

Conditions
ConditionsYield
With sodium hydrogencarbonate In water at 20℃; for 4h;95%
With sodium hydrogencarbonate at 20℃; for 4h;
Raw Materials
19879-84-6
Downstream Products
30760-09-9
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Chemistry

IUPAC Name: Sodium (2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxane-2-thiolate
Systematic of 1-Thio-β-D-glucose sodium salt (CAS NO.10593-29-0): EINECS 234-200-6 ; Sodium glucopyranosyl sulphide
CAS NO: 10593-29-0
Molecular Formula of 1-Thio-β-D-glucose sodium salt (CAS NO.10593-29-0): C6H11NaO5S
Molecular Weight: 218.2033
Molecular Structure:

Melting Point: 173 °C 
H bond acceptors: 5
H bond donors: 4
Freely Rotating Bonds: 6
Polar Surface Area: 84.95 Å2
Flash Point of 1-Thio-β-D-glucose sodium salt (CAS NO.10593-29-0): 215.5 °C
Enthalpy of Vaporization: 79.48 kJ/mol
Boiling Point: 432.6 °C at 760 mmHg
Vapour Pressure: 2.66E-09 mmHg at 25°C

Safety Profile

Safety Statements: 6 
S6: Keep under ... (there follows the name of an inert gas).
WGK Germany: 3