Basic information
- CAS
3696-28-4- Standard SMILES
[O-][n+]1ccccc1SSc1cccc[n+]1[O-]- InChIKey
ZHDBTKPXEJDTTQ-UHFFFAOYSA-N- Molecular formula
- C10H8N2O2S2
- Average molar mass
- 252.3 g/mol
- Monoisotopic mass
- 252.00271985
Overview
Dipyrithione is a pyridinium ion.
Names & identifiers
- Preferred name
- Dipyrithione
- IUPAC
- 1-oxido-2-[(1-oxidopyridin-1-ium-2-yl)disulfanyl]pyridin-1-ium
- English name
- Bispyrithione
- Molecular formula
- C10H8N2O2S2
- Molecular weight
- 252.31
Names & synonyms
dipyrithione3696-28-4BispyrithioneOmadine disulfideOMDSDipiritionapyrithione disulfideDipyrithionumPyrithione disulphide1-oxido-2-[(1-oxidopyridin-1-ium-2-yl)disulfanyl]pyridin-1-iumDTXSID1041897Pyridine, 2,2'-dithiobis-, 1,1'-dioxide
Show more names
osy20omadinedsNSC 84740NSC 241716NSC 677437ipyrithioneomadinedisulfide
NSC-84740NSC-2417162,2'-Dithiobis(pyridine 1,1'-dioxide)9L87N86R9ADTXCID90218971-oxido-2-((1-oxidopyridin-1-ium-2-yl)disulfanyl)pyridin-1-iumRefChem:589111dipyrithione magnesium sulfate
Database identifiers
- CAS
3696-28-4- PubChem CID
- 3109
- DTXSID
DTXSID1041897- ChEMBL
CHEMBL549473- ChEBI
CHEBI:136010- UNII
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 199
Experimental & physicochemical properties
Drugs
Pharmaceuticals -> Listed in ZINC15
Pharmaceuticals -> Antibiotics
Food Contact SubstancesFCS -> FDA Cumulative Estimated Daily Intake (CEDI)
Physicochemical properties
- Melting point
- 200.5 °C · 200.5°C (rough estimate)
- Boiling point
- 582.8 · 582.8±25.0 °C(Predicted)
- Density
- 1.4423 · 1.4423 (rough estimate)
- refractive index
- 1.565 · 1.5650 (estimate)
- solubility
- Methanol (Slightly), Water (Slightly, Heated, Sonicated)
- form
- solid
- pka
- -0.77 · -0.77±0.10(Predicted)
- color
- Gray or off-white paste
- PH
- 5 · 5.0-7.0(25°C,1%soln.)
- Stability
- Hygroscopic
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 34.9% (37 of 106) of reports.
Warning
H302 (63.2%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 106 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Pyridine, 2,2'-dithiobis-, 1,1'-dioxide
Pyridine, 2,2'-dithiobis-, 1,1'-dioxide: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesAcute Tox. 4 (63.2%)
Safety data
- tsca
- TSCA listed
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Pharmacology
PharmacodynamicsThis drug decreases or eliminates dandruff from the scalp, which is caused by various types of fungi.,
Mechanism of ActionThis drug is a fungicidal agent. Fungicide, also called antimycotic, any toxic substance used to kill or inhibit the growth of fungi.
Uses & manufacturing
General Manufacturing InformationPyridine, 2,2'-dithiobis-, 1,1'-dioxide: ACTIVE
Applications
DescriptionBispyrithione is a pyrithione derivate used as bactericide and fungicide. The drug was marketed under the name Crimanex in the form of shampoo for the treatment of dandruff, however it is no longer available on the manufacturer website (Drossa Pharm . It is currently used as a pesticide.
UsesBispyrithione can be used as an antibacterial; antifungal.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers96 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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