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Cas Database

Name	1-Thio-β-D-glucose sodium salt	EINECS	234-200-6
CAS No.	10593-29-0	Density	N/A
PSA	90.15000	LogP	-2.66680
Solubility	Soluble in water	Melting Point	173 °C
Formula	C₆H₁₂NaO₅S	Boiling Point	432.6 °C at 760 mmHg
Molecular Weight	218.206	Flash Point	215.5 °C
Transport Information	N/A	Appearance	White to off-white solid
Safety	6-24/25	Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
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;	Article Data	3

1-Thio-β-D-glucose sodium salt Synthetic route

: 19879-84-6
tetraacetyl thioglucose

: 10593-29-0
sodium 1-thio-β-D-glucopyranoside

Conditions

Conditions	Yield
With sodium methylate In methanol for 0.25h; Ambient temperature;

: 6806-56-0, 13639-50-4, 51898-27-2, 62860-10-0, 63783-77-7, 92217-67-9, 92217-68-0, 130796-15-5
O2,O3,O4,O6,S-Pentaacetyl-1-thio-β-D-glucopyranose

: 10593-29-0
sodium 1-thio-β-D-glucopyranoside

Conditions

Conditions	Yield
With sodium methylate In methanol at 0 - 20℃;

: 50-99-7
D-glucose

: 10593-29-0
sodium 1-thio-β-D-glucopyranoside

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
With sodium hydrogencarbonate In water at 20℃; for 4h;	95%
With sodium hydrogencarbonate at 20℃; for 4h;

1-Thio-β-D-glucose sodium salt Chemical Properties

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

1-Thio-β-D-glucose sodium salt Safety Profile

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

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