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Heterocyclic building blocks

Thiantoin

Also known as Phethenylate, Thiantoine, Thyphenytoin

CAS 7772-37-4Formula C13H10N2O2SMolar mass 258.30 g/mol
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Thiantoin chemical structure, C13H10N2O2S, CAS 7772-37-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
7772-37-4
Formula
C13H10N2O2S
Molar mass
258.30 g/mol
HS code
293499
Category
Heterocyclic building blocks

What is Thiantoin?

Plain description, key identifiers and synonyms

Phethenylate is an imidazolidine-2,4-dione.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
5-phenyl-5-thiophen-2-ylimidazolidine-2,4-dione
CAS number
7772-37-4 CAS number cross-checked
Molecular formula
C13H10N2O2S
UNII
V1989D4JPB
InChIKey
DCPACFSINCUFEC-UHFFFAOYSA-N
InChI
InChI=1S/C13H10N2O2S/c16-11-13(15-12(17)14-11,10-7-4-8-18-10)9-5-2-1-3-6-9/h1-8H,(H2,14,15,16,17)
SMILES (canonical and isomeric)
C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC=CS3

Synonyms

  • Phethenylate
  • Thiantoine
  • Thyphenytoin
  • 5-phenyl-5-thiophen-2-ylimidazolidine-2,4-dione
  • 2,4-Imidazolidinedione, 5-phenyl-5-(2-thienyl)-
  • Hydantoin, 5-phenyl-5-(2-thienyl)-
  • Tiantoina
  • 2, 5-phenyl-5-(2-thienyl)-
  • 5-Phenyl-5-(2-thienyl)-hydantoin
  • 5-phenyl-5-(2-thienyl)-2,4-imidazolidinedione
  • 5-Phenyl-5-(thiophen-2-yl)imidazolidine-2,4-dione

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
258.30 g/molcalc.
Exact mass
258.0463 Dacalc.
LogP (octanol/water)
1.83calc.
Topological polar surface area
58.2 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
2calc.
Heavy atoms
18calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.08calc.
Formal charge
0calc.
Stereocentres
1calc.
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=C1NC(=O)C(c2ccccc2)(c2cccs2)N1

O=C1NC(=O)C(c2ccccc2)(c2cccs2)N1

3 rings, 18 atoms. This chemical is the scaffold itself.

3 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.

Thiantoin suppliers

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

Frequently asked questions

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

What is Thiantoin?

Phethenylate is an imidazolidine-2,4-dione.

What is the CAS number of Thiantoin?

The CAS registry number of Thiantoin is 7772-37-4.

What is the molecular formula and weight of Thiantoin?

The molecular formula of Thiantoin is C13H10N2O2S and its molar mass is 258.30 g/mol.

What is Thiantoin used for?

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

Is Thiantoin hazardous?

No GHS hazard classification for Thiantoin 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 Thiantoin?

Thiantoin 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 Thiantoin?

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What is the price of Thiantoin?

Suppliers quote Thiantoin 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 Thiantoin

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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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