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Amino acids and derivatives

Cycloalliin

Also known as 3-Thiomorpholinecarboxylic acid, 5-methyl-, 1-oxide, (1S,3R,5S)-, 3-Thiomorpholinecarboxylic acid, 5-methyl-, 1-oxide, (1S-(1alpha,3beta,5beta))-, 5-methyl-1-oxo-1$l^(4),4-thiomorpholine-3-carboxylic acid

CAS 455-41-4Formula C6H11NO3SMolar mass 177.23 g/mol
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Cycloalliin chemical structure, C6H11NO3S, CAS 455-41-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
455-41-4
Formula
C6H11NO3S
Molar mass
177.23 g/mol
HS code
293499
Category
Amino acids and derivatives

What is Cycloalliin?

Plain description, key identifiers and synonyms

Cycloalliin has been reported in Allium sativum and Allium cepa.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1S,3R,5S)-5-methyl-1-oxo-1,4-thiazinane-3-carboxylic acid
CAS number
455-41-4
Molecular formula
C6H11NO3S
UNII
WP7066JG47
InChIKey
JYMHODZXTIGVPA-ANYMCVJYSA-N
InChI
InChI=1S/C6H11NO3S/c1-4-2-11(10)3-5(7-4)6(8)9/h4-5,7H,2-3H2,1H3,(H,8,9)/t4-,5-,11-/m0/s1
Canonical SMILES
CC1CS(=O)CC(C(=O)O)N1
Isomeric SMILES
C[C@H]1C[S@](=O)C[C@H](N1)C(=O)O

Synonyms

  • 3-Thiomorpholinecarboxylic acid, 5-methyl-, 1-oxide, (1S,3R,5S)-
  • 3-Thiomorpholinecarboxylic acid, 5-methyl-, 1-oxide, (1S-(1alpha,3beta,5beta))-
  • 5-methyl-1-oxo-1$l^(4),4-thiomorpholine-3-carboxylic acid
  • 5-methyl-1-oxo-1,4-thiazinane-3-carboxylic acid
  • Cycloallin
  • (1S,3R,5S)-5-methyl-1,4-thiazane-3-carboxylic acid 1-oxide
  • 3-Methyl-1,4-thiazane-5-carboxylic acid-1-oxide
  • 3-carboxy-5-methyl-1,4-thiazane S-oxide
  • 3-Thiomorpholinecarboxylic acid, 5-methyl-, 1-oxide, (1S-(1alpha,3beta,5.beta.))-

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
177.23 g/molcalc.
Exact mass
177.046 Dacalc.
LogP (octanol/water)
-0.82calc.
Topological polar surface area
66.4 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
1calc.
Heavy atoms
11calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.83calc.
Formal charge
0calc.
Stereocentres
3calc.
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, O=S1CCNCC1

O=S1CCNCC1

1 ring, 7 atoms, the Thiomorpholine 1-oxide ring system.

90 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.

Cycloalliin suppliers

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Cycloalliin 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

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

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 Cycloalliin is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Cycloalliin?

Cycloalliin has been reported in Allium sativum and Allium cepa.

What is the CAS number of Cycloalliin?

The CAS registry number of Cycloalliin is 455-41-4.

What is the molecular formula and weight of Cycloalliin?

The molecular formula of Cycloalliin is C6H11NO3S and its molar mass is 177.23 g/mol.

Is Cycloalliin hazardous?

No GHS hazard classification for Cycloalliin 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 Cycloalliin?

Cycloalliin is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Cycloalliin?

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What is the price of Cycloalliin?

Suppliers quote Cycloalliin 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 Cycloalliin

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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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