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Heterocyclic building blocks

Oxafun

Also known as Tiroxine, dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate, 6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide, 1,4-Oxathiin-3-carboxamide, 5,6-dihydro-2-methyl-N-phenyl-, mixt. with 1,1',1'',1'''-[dithiobis(carbonothioylnitrilo)]tetrakis[methane]

CAS 37244-87-4Formula C18H25N3O2S5Molar mass 475.75 g/mol
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Oxafun chemical structure, C18H25N3O2S5, CAS 37244-87-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
37244-87-4
Formula
C18H25N3O2S5
Molar mass
475.75 g/mol
HS code
293499
Category
Heterocyclic building blocks

What is Oxafun?

Plain description, key identifiers and synonyms

Oxafun is a chemical substance with the molecular formula C18H25N3O2S5 and a molar mass of 475.75 g/mol. Its CAS registry number is 37244-87-4. The IUPAC name is dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate, 6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate, 6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide
CAS number
37244-87-4
Molecular formula
C18H25N3O2S5
InChIKey
FCBNNTXINJPXSP-UHFFFAOYSA-N
InChI
InChI=1S/C12H13NO2S.C6H12N2S4/c1-9-11(16-8-7-15-9)12(14)13-10-5-3-2-4-6-10;1-7(2)5(9)11-12-6(10)8(3)4/h2-6H,7-8H2,1H3,(H,13,14);1-4H3
SMILES (canonical and isomeric)
CC1=C(SCCO1)C(=O)NC2=CC=CC=C2.CN(C)C(=S)SSC(=S)N(C)C

Synonyms

  • Tiroxine
  • dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate, 6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide
  • 1,4-Oxathiin-3-carboxamide, 5,6-dihydro-2-methyl-N-phenyl-, mixt. with 1,1',1'',1'''-[dithiobis(carbonothioylnitrilo)]tetrakis[methane]
  • 1,4-Oxathiin-3-carboxamide, 5,6-dihydro-2-methyl-N-phenyl-, mixt. with tetramethylthioperoxydicarbonic diamide (((Me2N)C(S))2S2)

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
475.75 g/molcalc.
Exact mass
475.055 Dacalc.
LogP (octanol/water)
4.68calc.
Topological polar surface area
44.81 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
2calc.
Heavy atoms
28calc.
Rings
2calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.39calc.
Formal charge
0calc.
Stereocentres
0calc.
Components
2calc.
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=C(Nc1ccccc1)C1=COCCS1

O=C(Nc1ccccc1)C1=COCCS1

2 rings, 15 atoms.

12 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.

Oxafun suppliers

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Oxafun price

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

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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