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Heterocyclic building blocks

Methyl glucosinolate

Also known as [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] N-sulfooxyethanimidothioate, 1-S-[N-(sulfooxy)ethanimidoyl]-1-thio-beta-D-glucopyranose, [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] N-sulfooxyethanimidothioate

CAS 497-77-8Formula C8H15NO9S2Molar mass 333.34 g/mol
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Methyl glucosinolate chemical structure, C8H15NO9S2, CAS 497-77-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
497-77-8
Formula
C8H15NO9S2
Molar mass
333.34 g/mol
HS code
293299
Category
Heterocyclic building blocks

What is Methyl glucosinolate?

Plain description, key identifiers and synonyms

Methyl glucosinolate is a chemical substance with the molecular formula C8H15NO9S2 and a molar mass of 333.34 g/mol. Its CAS registry number is 497-77-8. The IUPAC name is [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] N-sulfooxyethanimidothioate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] N-sulfooxyethanimidothioate
CAS number
497-77-8 CAS number cross-checked
Molecular formula
C8H15NO9S2
InChIKey
UBTOEGCOMHAXGV-CBQIKETKSA-N
InChI
InChI=1S/C8H15NO9S2/c1-3(9-18-20(14,15)16)19-8-7(13)6(12)5(11)4(2-10)17-8/h4-8,10-13H,2H2,1H3,(H,14,15,16)/t4-,5-,6+,7-,8+/m1/s1
Canonical SMILES
CC(=NOS(=O)(=O)O)SC1OC(CO)C(O)C(O)C1O
Isomeric SMILES
CC(=NOS(=O)(=O)O)S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O

Synonyms

  • [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] N-sulfooxyethanimidothioate
  • 1-S-[N-(sulfooxy)ethanimidoyl]-1-thio-beta-D-glucopyranose
  • [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] N-sulfooxyethanimidothioate
  • N-sulfoxythioacetimidic acid [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl] ester

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
333.34 g/molcalc.
Exact mass
333.0188 Dacalc.
LogP (octanol/water)
-2.33calc.
Topological polar surface area
166.1 Ųcalc.
Hydrogen bond donors
5calc.
Hydrogen bond acceptors
10calc.
Rotatable bonds
4calc.
Heavy atoms
20calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.88calc.
Formal charge
0calc.
Stereocentres
5calc.
Lipinski rule of five
Passes (0 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, C1CCOCC1

C1CCOCC1

1 ring, 6 atoms, the Tetrahydropyran ring system.

12,069 other chemicals share 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.

Methyl glucosinolate suppliers

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Methyl glucosinolate 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 Methyl glucosinolate 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 Methyl glucosinolate is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Methyl glucosinolate, based on the data on this page

What is Methyl glucosinolate?

Methyl glucosinolate is a chemical substance with the molecular formula C8H15NO9S2 and a molar mass of 333.34 g/mol. Its CAS registry number is 497-77-8. The IUPAC name is [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] N-sulfooxyethanimidothioate.

What is the CAS number of Methyl glucosinolate?

The CAS registry number of Methyl glucosinolate is 497-77-8.

What is the molecular formula and weight of Methyl glucosinolate?

The molecular formula of Methyl glucosinolate is C8H15NO9S2 and its molar mass is 333.34 g/mol.

What is Methyl glucosinolate used for?

Known uses and roles of Methyl glucosinolate include building blocks in research and laboratory.

Is Methyl glucosinolate hazardous?

No GHS hazard classification for Methyl glucosinolate 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 Methyl glucosinolate?

Methyl glucosinolate 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 Methyl glucosinolate?

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

What is the price of Methyl glucosinolate?

Suppliers quote Methyl glucosinolate 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

Practical guides that help when you source, ship or handle Methyl glucosinolate

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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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