4-(pyridin-4-yldisulfanyl)pyridine

• ChemBase ID: 5264
• Molecular Formular: C10H8N2S2
• Molecular Mass: 220.31392
• Monoisotopic Mass: 220.01289027
• SMILES: c1cnccc1SSc1ccncc1
• Canonical SMILES: n1ccc(cc1)SSc1ccncc1
• InChI: InChI=1S/C10H8N2S2/c1-5-11-6-2-9(1)13-14-10-3-7-12-8-4-10/h1-8H
• InChIKey: UHBAPGWWRFVTFS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(pyridin-4-yldisulfanyl)pyridine
• IUPAC Traditional name: 4-(pyridin-4-yldisulfanyl)pyridine; 4,4'-dipyridyl disulfide
• Synonyms: 4,4'-DIPYRIDYL DISULFIDE; 4,4'-Dipyridinyl disulphide; 4,4′-Dipyridyl disulfide; 4,4′-Dithiodipyridine; Aldrithiol™-4; 4,4'-Dithiodipyridine; 4,4'-Dipyridyl disulfide; 4,4'-二吡啶基二硫醚; 4,4'-二硫二吡啶; 4,4'-二硫代联吡啶

Database IDs

• CAS Number: 2645-22-9
• EC Number: 220-158-6
• MDL Number: MFCD00006423
• Beilstein Number: 154742
• PubChem SID: 99444094; 160968693; 24848571
• PubChem CID: 75846

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.0914636
• LogD (pH = 7.4): 2.1377892
• Log P: 2.1384
• Molar Refractivity: 58.1464 cm^3
• Polarizability: 24.23588 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

ALOGPS 2.1

• Log P: 2.16
• LOG S: -3.06
• Solubility (Water): 1.92e-01 g/l

PROPERTIES

Physical Property

• Melting Point: 74-78°C; 76-78 °C(lit.)

Safety Information

• Storage Warning: Irritant
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Purity: 98%
• Empirical Formula (Hill Notation): C10H8N2S2

DETAILS

DrugBank - DB07623

Drug information: experimental

Sigma Aldrich - 143057

Application
Thiol reagent.1,2 Used to modify gold surfaces for protein studies.3
Packaging
1, 5, 25 g in glass bottle
Legal Information
Aldrithiol is a trademark of Sigma-Aldrich Co. LLC