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Screening compounds

Thionigerose

Also known as 3-S-Glucopyranosyl-3-thioglucose, 3-S-(alpha-D-Glucopyranosyl)-3-thio-D-glucose, 3-S-alpha-D-glucopyranosyl-3-thio-alpha-D-Glucopyranose

CAS 159495-64-4Formula C12H22O10SMolar mass 358.37 g/mol
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Thionigerose chemical structure, C12H22O10S, CAS 159495-64-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
159495-64-4
Formula
C12H22O10S
Molar mass
358.37 g/mol
HS code
293299
Category
Screening compounds

What is Thionigerose?

Plain description, key identifiers and synonyms

Thionigerose is a chemical substance with the molecular formula C12H22O10S and a molar mass of 358.37 g/mol. Its CAS registry number is 159495-64-4. The IUPAC name is (2S,3S,4S,5R,6R)-6-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyloxane-2,3,5-triol.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2S,3S,4S,5R,6R)-6-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyloxane-2,3,5-triol
CAS number
159495-64-4 CAS number cross-checked
Molecular formula
C12H22O10S
InChIKey
XRTVCRDMGYFFNB-NMCXEIBESA-N
InChI
InChI=1S/C12H22O10S/c13-1-3-5(15)7(17)8(18)12(22-3)23-10-6(16)4(2-14)21-11(20)9(10)19/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8-,9-,10+,11+,12-/m1/s1
Canonical SMILES
OCC1OC(SC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1O
Isomeric SMILES
C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)S[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O

Synonyms

  • 3-S-Glucopyranosyl-3-thioglucose
  • 3-S-(alpha-D-Glucopyranosyl)-3-thio-D-glucose
  • 3-S-alpha-D-glucopyranosyl-3-thio-alpha-D-Glucopyranose
  • (2S,3S,4S,5R,6R)-6-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyloxane-2,3,5-triol
  • 3-S-Hexopyranosyl-3-thiohexopyranose
  • alpha-D-Glucopyranose, 3-S-alpha-D-glucopyranosyl-3-thio-

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
358.37 g/molcalc.
Exact mass
358.0934 Dacalc.
LogP (octanol/water)
-4.68calc.
Topological polar surface area
180.3 Ųcalc.
Hydrogen bond donors
8calc.
Hydrogen bond acceptors
11calc.
Rotatable bonds
4calc.
Heavy atoms
23calc.
Rings
2calc.
Aromatic rings
0calc.
Fraction sp3 carbons
1calc.
Formal charge
0calc.
Stereocentres
10calc.
Lipinski rule of five
Fails (2 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, C1CCC(SC2CCOCC2)OC1

C1CCC(SC2CCOCC2)OC1

2 rings, 13 atoms.

No other chemical in our database has this scaffold.

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Thionigerose suppliers

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Thionigerose price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Thionigerose is traded under.

HS 2932.99Indicative HS code

Heterocyclic compounds with oxygen hetero-atom(s) only, other

World exports in 2024
$3.81B
+10.3% vs 2023, imports $7.05B
2019 to 2024
Top exporters
  1. China28.9%
  2. Switzerland * partner reported12.7%
  3. Germany7.8%
Top importers
  1. United States49.7%
  2. China11.9%
  3. India * partner reported3.3%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Thionigerose is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Thionigerose, based on the data on this page

What is Thionigerose?

Thionigerose is a chemical substance with the molecular formula C12H22O10S and a molar mass of 358.37 g/mol. Its CAS registry number is 159495-64-4. The IUPAC name is (2S,3S,4S,5R,6R)-6-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyloxane-2,3,5-triol.

What is the CAS number of Thionigerose?

The CAS registry number of Thionigerose is 159495-64-4.

What is the molecular formula and weight of Thionigerose?

The molecular formula of Thionigerose is C12H22O10S and its molar mass is 358.37 g/mol.

What is Thionigerose used for?

Known uses and roles of Thionigerose include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Thionigerose hazardous?

No GHS hazard classification for Thionigerose is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Thionigerose?

Thionigerose is usually classified under HS code 293299 (Heterocyclic compounds with oxygen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Thionigerose?

Post a free request on CompoundList and suppliers of Thionigerose will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Thionigerose?

Suppliers quote Thionigerose on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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