Basic information
- Standard SMILES
c1ccc(SSc2ccccn2)nc1- InChIKey
HAXFWIACAGNFHA-UHFFFAOYSA-N- Molecular formula
- C10H8N2S2
- Average molar mass
- 220.3 g/mol
- Monoisotopic mass
- 220.01289026
Overview
Aldrithiol is a member of the class of pyridines that is pyridine which is substituted by a pyridin-2-yldisulfanediyl group at position 2. It is a reagent used in molecular biology as an oxidizing agent. Also used in peptide synthesis and for detecting thiols. It has a role as an oxidising agent. It is a member of pyridines and an organic disulfide.
Names & identifiers
- Preferred name
- 2,2'-Dipyridyl disulfide
- IUPAC
- 2-(pyridin-2-yldisulfanyl)pyridine
- English name
- 2,2'-Dithiodipyridine
- Molecular formula
- C10H8N2S2
- Molecular weight
- 220.31
Names & synonyms
2,2'-Dithiodipyridine2127-03-92,2'-Dipyridyl disulfide2-(pyridin-2-yldisulfanyl)pyridine2,2'-Dipyridyldisulfide2-Dipyridyl disulfide2PDS2,2'-DithiopyridinePyridine, 2,2'-dithiobis-L6X912UPBUorthopyridyl disulfideDTXSID70175517
Show more names
Aldrithiol2-PDSDithiodipyridine2-AldrithiolDipyridyldisulfide2-Pyridyl disulfide
2,2-dithiobispyridine2,2-PDSRefChem:440289DTXCID5098008218-343-11,2-di(pyridin-2-yl)disulfaneAldrithiol-2Aldrithiol 2
Database identifiers
- CAS
2127-03-9- PubChem CID
- 65093
- DTXSID
DTXSID70175517- ChEMBL
CHEMBL118678- ChEBI
CHEBI:143170- UNII
- L6X912UPBU
- EC Number
- 218-343-1
- Nikkaji
- J39.097F
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 76.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 148
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Pyridines
Solubility25.5 [ug/mL] (The mean of the results at pH 7.4)
Melting Point58 °C
Physical DescriptionWhite crystalline powder; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 56 · 56-58 °C(lit.)
- Boiling point
- 356.1 · 356.1±17.0 °C(Predicted)
- Density
- 1.3078 · 1.3078 (rough estimate)
- refractive index
- 1.55 · 1.5500 (estimate)
- Flash point
- 210 °C · 210 °C
- storage temp.
- 2 · 2-8°C
- solubility
- 50 mg/mL, · methanol: soluble50mg/mL, clear to very slightly hazy, colorless to faintly brownish-yellow
- form
- powder
- pka
- 1.52 · 1.52±0.19(Predicted)
- color
- Clear colorless to yellow to tan
- Water Solubility
- 5 g/L · 5 g/L (20 ºC)
- BRN
- 154629 · 154629
- InChI
- 1S/C10H8N2S2/c1-3-7-11-9(5-1)13-14-10-6-2-4-8-12-10/h1-8H
- InChIKey
- HAXFWIACAGNFHA-UHFFFAOYSA-N
- SMILES
- S(Sc1ccccn1)c2ccccn2
- LogP
- 2.53 · 2.530 (est)
- CAS DataBase Reference
- 2127 · 2127-03-9(CAS DataBase Reference)
- FDA UNII
- 6 X912UPBU · L6X912UPBU
- NIST Chemistry Reference
- 2 · Pyridine, 2,2'-dithiobis-(2127-03-9)
- EPA Substance Registry System
- 2 · Pyridine, 2,2'-dithiobis- (2127-03-9)
- UNSPSC Code
- 12352113 · 12352113
- NACRES
- 26 · NA.26
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi,Xn
- Risk Statements
- 36 · 36/37/38-37-20/22
- Safety Statements
- 36 · 36/37/39-37/39-25-22-36-26
- RIDADR
- 3335 · UN 3335
- WGK Germany
- 3 · 3
- F
- 10 · 10-23
- Autoignition Temperature
- 340 °C · 340 °C
- Hazard Note
- Irritant
- TSCA
- TSCA listed
- HS Code
- 29333990 · 29333990
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 1.5% (1 of 66) of reports.
Warning
H315 (98.5%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 66 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Pyridine, 2,2'-dithiobis-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (98.5%)
Safety & protection
Protective Action Criteria (PAC)
12 [mg/m3]
130 [mg/m3]
790 [mg/m3]
Safety data
- F
- 10-23
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3335
- hs_code
- 29333990
- risk_code
- 36/37/38-37-20/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- hazard_note
- Irritant
- safety_code
- 36/37/39-37/39-25-22-36-26
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Autoignition Temperature
- 340 °C
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationElectron-accepting molecules in chemical reactions in which electrons are transferred from one molecule to another (OXIDATION-REDUCTION).
Uses & manufacturing
General Manufacturing InformationPyridine, 2,2'-dithiobis-: ACTIVE
Applications
Uses2,2'-Dipyridyl disulfide is a useful reagent for determination of sulfhydryl groups, preparation of amino acid active esters and the thio esters of phosphoric acid. It acts as a peptide coupling reagent and as an oxidizing agent. It is also used for the activation of glycosides.
Uses2,2'-Dipyridyldisulfide, sometimes known as DPS, is used for preparing thiols and activating or protecting carboxylic acid with triphenylphosphine.
Uses2,2'-Dithiodipyridine was used in the synthesis of adenosine-5′-phosphoimidazolide. It was employed with PPh3 as a condensing agent in the amidation of carboxylic acid enantiomers for HPLC separation.
General Description2,2'-Dithiodipyridine is a nucleocapsid zinc finger targeting compound and can abrogate the infectivity of human immunodeficiency virus type-1 virions. It is a thiol reagent.
Upstream & downstream products
Upstream raw materials
Downstream products
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Additional notes
DefinitionChEBI: Aldrithiol is a member of the class of pyridines that is pyridine which is substituted by a pyridin-2-yldisulfanediyl group at position 2. It is a reagent used in molecular biology as an oxidizing agent. Also used in peptide synthesis and for detecting thiols. It has a role as an oxidising agent. It is an organic disulfide and a member of pyridines.
Related reactions
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