Basic information
- CAS
2645-22-9- Standard SMILES
c1cc(SSc2ccncc2)ccn1- InChIKey
UHBAPGWWRFVTFS-UHFFFAOYSA-N- Molecular formula
- C10H8N2S2
- Average molar mass
- 220.3 g/mol
- Monoisotopic mass
- 220.01289061
Overview
4,4'-dipyridyl disulfide is an organic disulfide obtained by formal oxidative dimerisation of 4-thiopyridine. It is a member of pyridines and an organic disulfide.
Names & identifiers
- Preferred name
- 4,4'-Dithiodipyridine
- IUPAC
- 4-(pyridin-4-yldisulfanyl)pyridine
- English name
- 4,4'-Dipyridyl disulfide
- Molecular formula
- C10H8N2S2
- Molecular weight
- 220.31
Names & synonyms
2645-22-94,4'-Dipyridyl disulfide4,4'-Dithiodipyridine4-(pyridin-4-yldisulfanyl)pyridine4,4'-Dithiopyridine4,4'-Dipyridine disulfideEI4LXL5JH8DTXSID00181045NSC-367080CHEBI:41814RefChem:96280DTXCID10103536
Show more names
DTDP4-PdsDK7466-4Aldrithol-4ALDRITHIOL(TM)-44-Pyridyl disulfide
220-158-61,2-Di(pyridin-4-yl)disulfanePyridine, 4,4'-dithiobis-4,4-Dipyridyl DisulfideAldrithiol-4Aldrithiol 44,4'-Bipyridyl disulfide4,4'-disulfanediyldipyridine
Database identifiers
- CAS
2645-22-9- PubChem CID
- 75846
- DTXSID
DTXSID00181045- ChEMBL
CHEMBL1232076- ChEBI
CHEBI:41814- UNII
- EI4LXL5JH8
- EC Number
- 220-158-6
Properties
Computed structural properties
- XLogP
- 1.9
- 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
- 136
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Pyridines
DrugsPharmaceuticals -> Listed in ZINC15
Physical DescriptionCrystalline solid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- 76 · 76-78 °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)
- storage temp.
- 2 · 2-8°C
- solubility
- 95 % · 95% ethanol: soluble5%, clear, colorless to light yellow
- form
- Crystalline Powder
- pka
- 3.6 · 3.60±0.26(Predicted)
- color
- White to orange
- BRN
- 154742 · 154742
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
Warning
H315 (100%): 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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29333990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36-24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H335-H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
UsesAldrithiol-4 was used as cosubstrate in a study to develop highly specific inhibitors against mannose-binding lectin-associated serine proteases by in vitro evolution technology:phage display.It was used to study the O2 equilibria of recombinant human neuroglobin and cytoglobin measured under close to physiological conditions.It was used to modify gold surfaces for protein studies.
Upstream & downstream products
Downstream products
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
Hebei shuoxi biotechnology co. LTD
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…