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Heterocyclic building blocks

Sbb041877

Also known as 4-oxo-6-(thiophen-2-yl)-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile, 2-Mercapto-6-oxo-4-(thiophen-2-yl)-1,6-dihydropyrimidine-5-carbonitrile, 4-oxo-2-sulfanylidene-6-thiophen-2-yl-1H-pyrimidine-5-carbonitrile

CAS 109532-65-2Formula C9H5N3OS2Molar mass 235.29 g/mol
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Sbb041877 chemical structure, C9H5N3OS2, CAS 109532-65-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
109532-65-2
Formula
C9H5N3OS2
Molar mass
235.29 g/mol
HS code
293499
Category
Heterocyclic building blocks

What is Sbb041877?

Plain description, key identifiers and synonyms

Sbb041877 is a chemical substance with the molecular formula C9H5N3OS2 and a molar mass of 235.29 g/mol. Its CAS registry number is 109532-65-2. The IUPAC name is 4-oxo-2-sulfanylidene-6-thiophen-2-yl-1H-pyrimidine-5-carbonitrile.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
4-oxo-2-sulfanylidene-6-thiophen-2-yl-1H-pyrimidine-5-carbonitrile
CAS number
109532-65-2 CAS number cross-checked
Molecular formula
C9H5N3OS2
MDL number
MFCD05843773
InChIKey
GLDIUGAQMAVELC-UHFFFAOYSA-N
InChI
InChI=1S/C9H5N3OS2/c10-4-5-7(6-2-1-3-15-6)11-9(14)12-8(5)13/h1-3H,(H2,11,12,13,14)
SMILES (canonical and isomeric)
C1=CSC(=C1)C2=C(C(=O)NC(=S)N2)C#N

Synonyms

  • 4-oxo-6-(thiophen-2-yl)-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
  • 2-Mercapto-6-oxo-4-(thiophen-2-yl)-1,6-dihydropyrimidine-5-carbonitrile
  • 4-oxo-2-sulfanylidene-6-thiophen-2-yl-1H-pyrimidine-5-carbonitrile
  • 4-Hydroxy-2-mercapto-6-thien-2-ylpyrimidine-5-carbonitrile
  • 2-Mercapto-6-oxo-4-(2-thienyl)-1,6-dihydropyrimidine-5-carbonitrile
  • 5-Pyrimidinecarbonitrile,1,2,3,4-tetrahydro-4-oxo-6-(2-thienyl)-2-thioxo-
  • 1,2,3,4-Tetrahydro-4-oxo-6-(2-thienyl)-2-thioxo-5-pyrimidinecarbonitrile
  • 4-Hydroxy-2-mercapto-6-(thiophen-2-yl)pyrimidine-5-carbonitrile
  • 4-hydroxy-2-sulfanyl-6-(thiophen-2-yl)pyrimidine-5-carbonitrile
  • 4-oxo-2-sulfanylidene-6-(thiophen-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
  • 5-Cyano-6-(thien-2-yl)-2-thiouracil
  • 4-hydroxy-2-sulfanyl-6-(2-thienyl)-5-pyrimidinecarbonitrile
  • 6-hydroxy-2-sulfanyl-4-(2-thienyl)pyrimidine-5-carbonitrile
  • 4-hydroxy-6-(2-thienyl)-2-thioxo-1,2-dihydro-5-pyrimidinecarbonitrile
  • 4-Oxo-6-(2-thienyl)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile
  • 4-oxo-6-(2-thienyl)-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
  • 4-Oxo-6-(2-thienyl)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile #
  • 5-Pyrimidinecarbonitrile, 1,2,3,4-tetrahydro-4-oxo-6-(2-thienyl)-2-thioxo-
  • Pyrimidine-5-carbonitrile, 1,2,3,4-tetrahydro-4-oxo-6-(2-thienyl)-2-thioxo-

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
235.29 g/molcalc.
Exact mass
234.9874 Dacalc.
LogP (octanol/water)
2.03calc.
Topological polar surface area
72.44 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
1calc.
Heavy atoms
15calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0calc.
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, O=c1cc(-c2cccs2)[nH]c(=S)[nH]1

O=c1cc(-c2cccs2)[nH]c(=S)[nH]1

2 rings, 13 atoms, the 6-(2-Thienyl)-2-thioxo-2,3-dihydropyrimidin-4(1{H})-one ring system.

5 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.

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Sbb041877 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 Sbb041877 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 Sbb041877 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Sbb041877, based on the data on this page

What is Sbb041877?

Sbb041877 is a chemical substance with the molecular formula C9H5N3OS2 and a molar mass of 235.29 g/mol. Its CAS registry number is 109532-65-2. The IUPAC name is 4-oxo-2-sulfanylidene-6-thiophen-2-yl-1H-pyrimidine-5-carbonitrile.

What is the CAS number of Sbb041877?

The CAS registry number of Sbb041877 is 109532-65-2.

What is the molecular formula and weight of Sbb041877?

The molecular formula of Sbb041877 is C9H5N3OS2 and its molar mass is 235.29 g/mol.

What is Sbb041877 used for?

Known uses and roles of Sbb041877 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Sbb041877 hazardous?

No GHS hazard classification for Sbb041877 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 Sbb041877?

Sbb041877 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 Sbb041877?

Post a free request on CompoundList and suppliers of Sbb041877 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Sbb041877?

Suppliers quote Sbb041877 on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

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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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