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Heterocyclic building blocks

PTH-4-hydroxyproline

Also known as 6-Hydroxy-2-phenyl-3-thioxohexahydro-1H-pyrrolo[1,2-c]imidazol-1-one, 1H-Pyrrolo[1,2-c]imidazol-1-one,hexahydro-6-hydroxy-2-phenyl-3-thioxo-, 7-Hydroxy-3-phenyl-2-thioxo-1,3-diazabicyclo(3.3.0)octan-4-one

CAS 81703-65-3Formula C12H12N2O2SMolar mass 248.31 g/mol
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PTH-4-hydroxyproline chemical structure, C12H12N2O2S, CAS 81703-65-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
81703-65-3
Formula
C12H12N2O2S
Molar mass
248.31 g/mol
HS code
293379
Category
Heterocyclic building blocks

What is PTH-4-hydroxyproline?

Plain description, key identifiers and synonyms

PTH-4-hydroxyproline is a chemical substance with the molecular formula C12H12N2O2S and a molar mass of 248.31 g/mol. Its CAS registry number is 81703-65-3. The IUPAC name is 6-hydroxy-2-phenyl-3-sulfanylidene-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-1-one.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
6-hydroxy-2-phenyl-3-sulfanylidene-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-1-one
CAS number
81703-65-3
Molecular formula
C12H12N2O2S
InChIKey
FVSSRXSXSBLAOD-UHFFFAOYSA-N
InChI
InChI=1S/C12H12N2O2S/c15-9-6-10-11(16)14(12(17)13(10)7-9)8-4-2-1-3-5-8/h1-5,9-10,15H,6-7H2
SMILES (canonical and isomeric)
C1C(CN2C1C(=O)N(C2=S)C3=CC=CC=C3)O

Synonyms

  • 6-Hydroxy-2-phenyl-3-thioxohexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
  • 1H-Pyrrolo[1,2-c]imidazol-1-one,hexahydro-6-hydroxy-2-phenyl-3-thioxo-
  • 7-Hydroxy-3-phenyl-2-thioxo-1,3-diazabicyclo(3.3.0)octan-4-one
  • 6-hydroxy-2-phenyl-3-sulfanylidene-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-1-one

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
248.31 g/molcalc.
Exact mass
248.0619 Dacalc.
LogP (octanol/water)
0.75calc.
Topological polar surface area
43.78 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
1calc.
Heavy atoms
17calc.
Rings
3calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.33calc.
Formal charge
0calc.
Stereocentres
2calc.
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=C1C2CCCN2C(=S)N1c1ccccc1

O=C1C2CCCN2C(=S)N1c1ccccc1

3 rings, 16 atoms, the Hexahydro-2-phenyl-3-thioxo-1H-pyrrolo(1,2-c)imidazol-1-one ring system.

7 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.

PTH-4-hydroxyproline suppliers

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PTH-4-hydroxyproline 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 PTH-4-hydroxyproline is traded under.

HS 2933.79Indicative HS code

Lactams, other lactams

World exports in 2024
$16.2B
−64.4% vs 2023, imports $15.4B
2019 to 2024
Top exporters
  1. Ireland37.0%
  2. France * partner reported15.6%
  3. Spain11.3%
Top importers
  1. Germany27.8%
  2. Ireland18.9%
  3. Panama * partner reported12.9%

* Partner reported figures, a lower bound.

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

The HS code shown for PTH-4-hydroxyproline is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about PTH-4-hydroxyproline, based on the data on this page

What is PTH-4-hydroxyproline?

PTH-4-hydroxyproline is a chemical substance with the molecular formula C12H12N2O2S and a molar mass of 248.31 g/mol. Its CAS registry number is 81703-65-3. The IUPAC name is 6-hydroxy-2-phenyl-3-sulfanylidene-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-1-one.

What is the CAS number of PTH-4-hydroxyproline?

The CAS registry number of PTH-4-hydroxyproline is 81703-65-3.

What is the molecular formula and weight of PTH-4-hydroxyproline?

The molecular formula of PTH-4-hydroxyproline is C12H12N2O2S and its molar mass is 248.31 g/mol.

What is PTH-4-hydroxyproline used for?

Known uses and roles of PTH-4-hydroxyproline include building blocks in research and laboratory and screening compounds in research and laboratory.

Is PTH-4-hydroxyproline hazardous?

No GHS hazard classification for PTH-4-hydroxyproline 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 PTH-4-hydroxyproline?

PTH-4-hydroxyproline is usually classified under HS code 293379 (Lactams, other lactams). This is indicative, confirm it with your customs broker before shipping.

Where can I buy PTH-4-hydroxyproline?

Post a free request on CompoundList and suppliers of PTH-4-hydroxyproline will send you quotes. Your contact details stay private until you accept a quote.

What is the price of PTH-4-hydroxyproline?

Suppliers quote PTH-4-hydroxyproline 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 PTH-4-hydroxyproline

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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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