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Screening compounds

Thenatol

Also known as 2-Thiophenemethanaminium, N,N-dimethyl-N-(2-phenoxyethyl)-, salt with 4-chlorobenzenesulfonic acid (1:1), mixt. with piperazine phosphate (1:1), 4-chlorobenzenesulfonate, dimethyl-(2-phenoxyethyl)-(thiophen-2-ylmethyl)azanium, phosphoric acid, piperazine

CAS 66555-52-0Formula C25H37ClN3O8PS2Molar mass 638.15 g/mol
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Thenatol chemical structure, C25H37ClN3O8PS2, CAS 66555-52-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
66555-52-0
Formula
C25H37ClN3O8PS2
Molar mass
638.15 g/mol
HS code
293499
Category
Screening compounds

What is Thenatol?

Plain description, key identifiers and synonyms

Thenatol is a chemical substance with the molecular formula C25H37ClN3O8PS2 and a molar mass of 638.15 g/mol. Its CAS registry number is 66555-52-0. The IUPAC name is 4-chlorobenzenesulfonate, dimethyl-(2-phenoxyethyl)-(thiophen-2-ylmethyl)azanium, phosphoric acid, piperazine.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
4-chlorobenzenesulfonate, dimethyl-(2-phenoxyethyl)-(thiophen-2-ylmethyl)azanium, phosphoric acid, piperazine
CAS number
66555-52-0 CAS number cross-checked
Molecular formula
C25H37ClN3O8PS2
InChIKey
OWTCEMVSXOQGEA-UHFFFAOYSA-M
InChI
InChI=1S/C15H20NOS.C6H5ClO3S.C4H10N2.H3O4P/c1-16(2,13-15-9-6-12-18-15)10-11-17-14-7-4-3-5-8-14;7-5-1-3-6(4-2-5)11(8,9)10;1-2-6-4-3-5-1;1-5(2,3)4/h3-9,12H,10-11,13H2,1-2H3;1-4H,(H,8,9,10);5-6H,1-4H2;(H3,1,2,3,4)/q+1;;;/p-1
SMILES (canonical and isomeric)
C[N+](C)(CCOC1=CC=CC=C1)CC2=CC=CS2.C1CNCCN1.C1=CC(=CC=C1S(=O)(=O)[O-])Cl.OP(=O)(O)O

Synonyms

  • 2-Thiophenemethanaminium, N,N-dimethyl-N-(2-phenoxyethyl)-, salt with 4-chlorobenzenesulfonic acid (1:1), mixt. with piperazine phosphate (1:1)
  • 4-chlorobenzenesulfonate, dimethyl-(2-phenoxyethyl)-(thiophen-2-ylmethyl)azanium, phosphoric acid, piperazine

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
638.15 g/molcalc.
Exact mass
637.1448 Dacalc.
LogP (octanol/water)
2.9calc.
Topological polar surface area
168.3 Ųcalc.
Hydrogen bond donors
5calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
7calc.
Heavy atoms
40calc.
Rings
4calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.36calc.
Formal charge
0calc.
Stereocentres
0calc.
Components
4calc.
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, c1ccc(OCCNCc2cccs2)cc1

c1ccc(OCCNCc2cccs2)cc1

2 rings, 16 atoms, the 2-Phenoxy-N-(2-thienylmethyl)-1-ethanamine ring system.

13 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.

Thenatol suppliers

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

Guides for buyers

Practical guides that help when you source, ship or handle Thenatol

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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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