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Heterocyclic building blocks

Acetiamine

Also known as Acetiaminum, Diacetylthiamine, Diacethiamine

CAS 299-89-8Formula C16H22N4O4SMolar mass 366.44 g/mol
1 supplier listed
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Acetiamine chemical structure, C16H22N4O4S, CAS 299-89-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
299-89-8
Formula
C16H22N4O4S
Molar mass
366.44 g/mol
HS code
293359
Category
Heterocyclic building blocks

What is Acetiamine?

Plain description, key identifiers and synonyms

Acetiamine is a chemical substance with the molecular formula C16H22N4O4S and a molar mass of 366.44 g/mol. Its CAS registry number is 299-89-8. The IUPAC name is [(Z)-3-acetylsulfanyl-4-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]pent-3-enyl] acetate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(Z)-3-acetylsulfanyl-4-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]pent-3-enyl] acetate
CAS number
299-89-8 CAS number cross-checked
Molecular formula
C16H22N4O4S
UNII
SIJ2OU269U
InChIKey
ISIPQAHMLLFSFR-GDNBJRDFSA-N
InChI
InChI=1S/C16H22N4O4S/c1-10(15(25-13(4)23)5-6-24-12(3)22)20(9-21)8-14-7-18-11(2)19-16(14)17/h7,9H,5-6,8H2,1-4H3,(H2,17,18,19)/b15-10-
Canonical SMILES
CC(=O)OCCC(SC(C)=O)=C(C)N(C=O)Cc1cnc(C)nc1N
Isomeric SMILES
CC1=NC=C(C(=N1)N)CN(C=O)/C(=C(/CCOC(=O)C)\SC(=O)C)/C

Synonyms

  • Acetiaminum
  • Diacetylthiamine
  • Diacethiamine
  • Acetiamina
  • D.A.T.
  • O,S-Diacetylthiamine
  • Thiamine, O,S-diacetyl-
  • D.A.T
  • Acetiaminum (INN-Latin)
  • Acetiamina (INN-Spanish)
  • (Z)-3-Acetylthio-4-(N-(4-amino-2-methyl-5-pyrimidinylmethyl)formylamino)-3-pentenyl acetat
  • N-((4-Amino-2-methyl-5-pyrimidinyl)methyl)-N-(4-hydroxy-2-mercapto-1-methyl-1-butenyl)formamide O,S-diacetate
  • Acetic acid, thio-, S-ester with N-((4-amino-2-methyl-5-pyrimidinyl)methyl)-N-(4-hydroxy-2-mercapto-1-methyl-1-butenyl)formamide acetate (ester)
  • Ethanethioic acid, S-(1-(2-(acetyloxy)ethyl)-2-(((4-amino-2-methyl-5-pyrimidinyl)methyl)formylamino)-1-propen-1-yl) ester
  • Ethanethioic acid, S-(1-(2-(acetyloxy)ethyl)-2-(((4-amino-2-methyl-5-pyrimidinyl)methyl)formylamino)-1-propenyl) ester
  • Acetic acid, thio-, S-ester with N-((4-amino-2-methyl-5-pyrimidinyl)methyl)-N-(4-hydroxy-2-mercapto-1-methyl-1-butenyl)formamide acetate (ester) (8CI)
  • Ethanethioic acid, S-(1-(2-(acetyloxy)ethyl)-2-(((4-amino-2-methyl-5-pyrimidinyl)methyl)formylamino)-1-propenyl) ester (9CI)
  • [(Z)-3-acetylsulfanyl-4-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]pent-3-enyl] acetate
  • 3-(Acetylthio)-4-(N-((4-amino-2-methylpyrimidin-5-yl)methyl)formamido)pent-3-en-1-yl acetate
  • DAT (VAN)
  • 3-(Acetylthio)-4-(N-((4-amino-2-methylpyrimidin-5-yl)methyl)formamido)pent-3-en-1-ylacetate

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
366.44 g/molcalc.
Exact mass
366.1362 Dacalc.
LogP (octanol/water)
1.79calc.
Topological polar surface area
115.5 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
8calc.
Heavy atoms
25calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.44calc.
Formal charge
0calc.
Stereocentres
0calc.
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, c1cncnc1

c1cncnc1

1 ring, 6 atoms, the Pyrimidine ring system.

18,999 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.

Acetiamine suppliers

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  • Infochems Inc.
    South Korea, Sa-DongUnclaimed profile
    AcetiamineGrade, purity and minimum order on request
    Price on request
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Acetiamine 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 Acetiamine is traded under.

HS 2933.59Indicative HS code

Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring, other

World exports in 2024
$18.4B
+10.5% vs 2023, imports $24.8B
2019 to 2024
Top exporters
  1. Ireland43.6%
  2. Switzerland * partner reported26.3%
  3. China7.9%
Top importers
  1. Slovenia30.3%
  2. United States30.1%
  3. Germany15.3%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Acetiamine?

Acetiamine is a chemical substance with the molecular formula C16H22N4O4S and a molar mass of 366.44 g/mol. Its CAS registry number is 299-89-8. The IUPAC name is [(Z)-3-acetylsulfanyl-4-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]pent-3-enyl] acetate.

What is the CAS number of Acetiamine?

The CAS registry number of Acetiamine is 299-89-8.

What is the molecular formula and weight of Acetiamine?

The molecular formula of Acetiamine is C16H22N4O4S and its molar mass is 366.44 g/mol.

What is Acetiamine used for?

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

Is Acetiamine hazardous?

No GHS hazard classification for Acetiamine 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 Acetiamine?

Acetiamine is usually classified under HS code 293359 (Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Acetiamine?

CompoundList lists 1 supplier of Acetiamine in South Korea. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Acetiamine?

Suppliers quote Acetiamine 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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