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Heterocyclic building blocks

Sbb014101

Also known as Diethyl 4-aminoisothiazole-3,5-dicarboxylate, 3,5-diethyl 4-amino-1,2-thiazole-3,5-dicarboxylate, diethyl 4-amino-1,2-thiazole-3,5-dicarboxylate

CAS 72632-87-2Formula C9H12N2O4SMolar mass 244.27 g/mol
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Sbb014101 chemical structure, C9H12N2O4S, CAS 72632-87-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
72632-87-2
Formula
C9H12N2O4S
Molar mass
244.27 g/mol
HS code
293499
Category
Heterocyclic building blocks

What is Sbb014101?

Plain description, key identifiers and synonyms

Sbb014101 is a chemical substance with the molecular formula C9H12N2O4S and a molar mass of 244.27 g/mol. Its CAS registry number is 72632-87-2. The IUPAC name is diethyl 4-amino-1,2-thiazole-3,5-dicarboxylate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
diethyl 4-amino-1,2-thiazole-3,5-dicarboxylate
CAS number
72632-87-2 CAS number cross-checked
Molecular formula
C9H12N2O4S
MDL number
MFCD03051516
InChIKey
WOGOCIDRKQQKBG-UHFFFAOYSA-N
InChI
InChI=1S/C9H12N2O4S/c1-3-14-8(12)6-5(10)7(16-11-6)9(13)15-4-2/h3-4,10H2,1-2H3
SMILES (canonical and isomeric)
CCOC(=O)C1=C(C(=NS1)C(=O)OCC)N

Synonyms

  • Diethyl 4-aminoisothiazole-3,5-dicarboxylate
  • 3,5-diethyl 4-amino-1,2-thiazole-3,5-dicarboxylate
  • diethyl 4-amino-1,2-thiazole-3,5-dicarboxylate
  • ethyl 4-amino-3-(ethoxycarbonyl)isothiazole-5-carboxylate
  • Isothiazole-3,5-dicarboxylic acid, 4-amino-, diethyl 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
244.27 g/molcalc.
Exact mass
244.0518 Dacalc.
LogP (octanol/water)
1.08calc.
Topological polar surface area
91.51 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
4calc.
Heavy atoms
16calc.
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, c1cnsc1

c1cnsc1

1 ring, 5 atoms, the Isothiazole ring system.

1,867 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.

Sbb014101 suppliers

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Sbb014101 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 Sbb014101 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 Sbb014101 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Sbb014101, based on the data on this page

What is Sbb014101?

Sbb014101 is a chemical substance with the molecular formula C9H12N2O4S and a molar mass of 244.27 g/mol. Its CAS registry number is 72632-87-2. The IUPAC name is diethyl 4-amino-1,2-thiazole-3,5-dicarboxylate.

What is the CAS number of Sbb014101?

The CAS registry number of Sbb014101 is 72632-87-2.

What is the molecular formula and weight of Sbb014101?

The molecular formula of Sbb014101 is C9H12N2O4S and its molar mass is 244.27 g/mol.

What is Sbb014101 used for?

Known uses and roles of Sbb014101 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Sbb014101 hazardous?

No GHS hazard classification for Sbb014101 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 Sbb014101?

Sbb014101 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 Sbb014101?

Post a free request on CompoundList and suppliers of Sbb014101 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Sbb014101?

Suppliers quote Sbb014101 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 Sbb014101

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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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