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Pyritinol chemical structure, C16H20N2O4S2, CAS 1098-97-1
2D chemical structure

Key facts

What buyers check first

CAS number
1098-97-1
Formula
C16H20N2O4S2
Molar mass
368.48 g/mol
EC number
214-150-1
HS code
293339
Category
Central nervous system drugs

What is Pyritinol?

Plain description, key identifiers and synonyms

Pyritinol is a member of methylpyridines.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
5-[[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyldisulfanyl]methyl]-4-(hydroxymethyl)-2-methylpyridin-3-ol
CAS number
1098-97-1 CAS number cross-checked
EC number
214-150-1
Molecular formula
C16H20N2O4S2
UNII
AK5Q5FZH2R
MDL number
MFCD00151477
InChIKey
SIXLXDIJGIWWFU-UHFFFAOYSA-N
InChI
InChI=1S/C16H20N2O4S2/c1-9-15(21)13(5-19)11(3-17-9)7-23-24-8-12-4-18-10(2)16(22)14(12)6-20/h3-4,19-22H,5-8H2,1-2H3
SMILES (canonical and isomeric)
CC1=NC=C(C(=C1O)CO)CSSCC2=CN=C(C(=C2CO)O)C

Synonyms

  • Pyrithioxin
  • Pyrithioxine
  • Piritinol
  • Dipyridoxolyldisulfide
  • Pyritinolum
  • Piritinolo
  • Pyridoxinedisulfide
  • 4-Pyridinemethanol, 3,3'-(dithiobis(methylene))bis(5-hydroxy-6-methyl-)
  • 5-((((5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl)methyl)disulfanyl)methyl)-4-(hydroxymethyl)-2-methylpyridin-3-ol
  • Encefabol
  • Bonol
  • Pyridoxine disulfide
  • Vitamin B6 disulfide
  • Pyridoxine-5-disulfide
  • 5,5'-(Disulfanediylbis(methylene))bis(4-(hydroxymethyl)-2-methylpyridin-3-ol)
  • 4-Pyridinemethanol, 3,3'-[dithiobis(methylene)]bis[5-hydroxy-6-methyl-
  • 5-[[[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methyldisulfanyl]methyl]-4-(hydroxymethyl)-2-methylpyridin-3-ol
  • Pyritinol (INN)
  • Pyrithioxine (JAN)
  • Pyritioxine
  • 5-[[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridyl]methyldisulfanyl]methyl]-4-(hydroxymethyl)-2-methyl-pyridin-3-ol
  • 4-Pyridinemethanol, 3,3'-(dithiobis(methylene))bis(5-hydroxy-6-methyl-
  • 5,5'-[Dithiobis(methylene)]bis[4-(hydroxymethyl)-2-methylpyridin-3-ol]
  • Encerebron
  • Cervitalin,
Show all 31 synonyms
  • Encebrovit,
  • Pyrithioxin,
  • Pyritioxine,
  • Bonifen,
  • 5,5'-(disulfanediyldimethanediyl)bis[4-(hydroxymethyl)-2-methylpyridin-3-ol]
  • 5,5'-[Disulfanediylbis(methylene)]bis[4-(hydroxymethyl)-2-methylpyridin-3-ol]

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
368.48 g/molcalc.
Exact mass
368.0864 Dacalc.
LogP (octanol/water)
2.57calc.
Topological polar surface area
106.7 ร…ยฒcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
7calc.
Heavy atoms
24calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.38calc.
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, c1cncc(CSSCc2cccnc2)c1

c1cncc(CSSCc2cccnc2)c1

2 rings, 16 atoms.

9 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS05: Corrosive
Corrosive
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H315Causes skin irritation.
  • H318Causes serious eye damage.
  • H335May cause respiratory irritation.
Precautionary statements (16)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P305 + P354 + P338If in eyes: Immediately rinse with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P317Get medical help.
  • P319Get medical help if you feel unwell.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P332 + P317If skin irritation occurs: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Pyritinol suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

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Pyritinol price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

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Uses and applications

What the substance is used for, by industry and function

Industries and functions

Roles

  • antidepressant
  • antipsychotic agent
  • anxiolytic drug
  • central nervous system depressant
  • central nervous system drug
  • pharmaceutical
  • psychotropic drug
  • tranquilizing drug

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 Pyritinol is traded under.

HS 2933.39Indicative HS code

Heterocyclic compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structureโ€ฆ

World exports in 2024
$9.16B
โˆ’17.9% vs 2023, imports $10.6B
2019 to 2024
Top exporters
  1. China21.5%
  2. India * partner reported12.3%
  3. Ireland11.6%
Top importers
  1. Germany14.2%
  2. United States12.8%
  3. Brazil10.1%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Pyritinol?

Pyritinol is a member of methylpyridines.

What is the CAS number of Pyritinol?

The CAS registry number of Pyritinol is 1098-97-1.

What is the molecular formula and weight of Pyritinol?

The molecular formula of Pyritinol is C16H20N2O4S2 and its molar mass is 368.48 g/mol.

What is Pyritinol used for?

Known uses and roles of Pyritinol include cns agents in pharmaceuticals, antidepressant, antipsychotic agent, anxiolytic drug, central nervous system depressant and 4 more.

Is Pyritinol hazardous?

Pyritinol carries the GHS signal word "Danger". Main hazards: causes skin irritation, causes serious eye damage, may cause respiratory irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Pyritinol?

Pyritinol is usually classified under HS code 293339 (Compounds containing an unfused pyridine ring (whether or not hydrogenated) in theโ€ฆ). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Pyritinol?

CompoundList lists 13 suppliers of Pyritinol in China, United States, Germany, Hong Kong and 1 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Pyritinol?

Suppliers quote Pyritinol 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 Pyritinol

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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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