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Screening compounds

Antineoplastic-27183

Also known as [Carbonothioylbis(azanediyl-4,1-phenylene)]bis(arsonic acid)

CAS 51112-57-3Formula C13H14As2N2O6SMolar mass 476.17 g/mol
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Antineoplastic-27183 chemical structure, C13H14As2N2O6S, CAS 51112-57-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
51112-57-3
Formula
C13H14As2N2O6S
Molar mass
476.17 g/mol
HS code
293190
Category
Screening compounds

What is Antineoplastic-27183?

Plain description, key identifiers and synonyms

Antineoplastic-27183 is a chemical substance with the molecular formula C13H14As2N2O6S and a molar mass of 476.17 g/mol. Its CAS registry number is 51112-57-3. The IUPAC name is [4-[(4-arsonophenyl)carbamothioylamino]phenyl]arsonic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[4-[(4-arsonophenyl)carbamothioylamino]phenyl]arsonic acid
CAS number
51112-57-3 CAS number cross-checked
Molecular formula
C13H14As2N2O6S
InChIKey
MGANBGWBZJFKAL-UHFFFAOYSA-N
InChI
InChI=1S/C13H14As2N2O6S/c18-14(19,20)9-1-5-11(6-2-9)16-13(24)17-12-7-3-10(4-8-12)15(21,22)23/h1-8H,(H2,16,17,24)(H2,18,19,20)(H2,21,22,23)
SMILES (canonical and isomeric)
C1=CC(=CC=C1NC(=S)NC2=CC=C(C=C2)[As](=O)(O)O)[As](=O)(O)O

Synonyms

  • [Carbonothioylbis(azanediyl-4,1-phenylene)]bis(arsonic acid)

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
476.17 g/molcalc.
Exact mass
475.9005 Dacalc.
LogP (octanol/water)
-1.38calc.
Topological polar surface area
139.1 Ųcalc.
Hydrogen bond donors
6calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
4calc.
Heavy atoms
24calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (1 violation)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, S=C(Nc1ccccc1)Nc1ccccc1

S=C(Nc1ccccc1)Nc1ccccc1

2 rings, 16 atoms, the Diphenylthiourea ring system.

541 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.

Antineoplastic-27183 suppliers

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Antineoplastic-27183 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 Antineoplastic-27183 is traded under.

HS 2931.90Indicative HS code

Organo-inorganic compounds, other than tetramethyl lead, tetraethyl lead, tributyltin compounds…

World exports in 2024
$3.97B
+5.3% vs 2023, imports $3.93B
2019 to 2024
Top exporters
  1. China28.3%
  2. United States15.6%
  3. Germany15.1%
Top importers
  1. United States14.6%
  2. China13.0%
  3. South Korea8.5%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Antineoplastic-27183 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Antineoplastic-27183, based on the data on this page

What is Antineoplastic-27183?

Antineoplastic-27183 is a chemical substance with the molecular formula C13H14As2N2O6S and a molar mass of 476.17 g/mol. Its CAS registry number is 51112-57-3. The IUPAC name is [4-[(4-arsonophenyl)carbamothioylamino]phenyl]arsonic acid.

What is the CAS number of Antineoplastic-27183?

The CAS registry number of Antineoplastic-27183 is 51112-57-3.

What is the molecular formula and weight of Antineoplastic-27183?

The molecular formula of Antineoplastic-27183 is C13H14As2N2O6S and its molar mass is 476.17 g/mol.

What is Antineoplastic-27183 used for?

Known uses and roles of Antineoplastic-27183 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Antineoplastic-27183 hazardous?

No GHS hazard classification for Antineoplastic-27183 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 Antineoplastic-27183?

Antineoplastic-27183 is usually classified under HS code 293190 (X. ORGANO-INORGANIC COMPOUNDS, HETEROCYCLIC COMPOUNDS, NUCLEIC ACIDS AND THEIR SALTS…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Antineoplastic-27183?

Post a free request on CompoundList and suppliers of Antineoplastic-27183 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Antineoplastic-27183?

Suppliers quote Antineoplastic-27183 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 Antineoplastic-27183

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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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