Basic information
- CAS
37968-97-1- Standard SMILES
c1cc(Sc2ccncc2)ccn1- InChIKey
XGJOFCCBFCHEHK-UHFFFAOYSA-N- Molecular formula
- C10H8N2S
- Average molar mass
- 188.25 g/mol
Names & identifiers
- Preferred name
- 4,4'-Dipyridyl Sulfide
- IUPAC
- 4-pyridin-4-ylsulfanylpyridine
- English name
- 4,4'-DIPYRIDYL SULFIDE
- Molecular formula
- C10H8N2S
- Molecular weight
- 188.25
Names & synonyms
37968-97-14,4'-Dipyridyl sulfideRefChem:506691679-745-44,4'-ThiodipyridineDi(pyridin-4-yl)sulfane4,4-dipyridyl sulfide4-(pyridin-4-ylsulfanyl)pyridine4-pyridin-4-ylsulfanylpyridine4,4'-DIPYRIDYLSULFIDEMFCD00059784CHEMBL5440688
Show more names
Dipyridylsulfide4，4'-ThiodipyridineDi(4-pyridyl) sulfide4,4'-Thiobis[pyridineBis(4-pyridyl) sulfideDi(4-pyridinyl) sulfidePyridine, 4,4'-thiobis-
4,4'-Dipyridyl sulphide; >97%4,4-dipyridylsulfideSCHEMBL1440874-(4-pyridylsulfanyl)pyridineGLXC-236174-(4-Pyridinylsulfanyl)pyridine #BDBM50626263AKOS027430452
Database identifiers
- CAS
37968-97-1- PubChem CID
- 604650
- ChEMBL
CHEMBL5440688- EC Number
- 679-745-4
- Nikkaji
- J149.318C
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 51.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 124
Physicochemical properties
- Melting point
- 69 °C · 69 °C
- Boiling point
- 155 °C · 155 °C(Press: 1.5 Torr)
- Density
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- pka
- 3.87 · 3.87±0.26(Predicted)
- form
- powder to crystal
- color
- White to Gray to Brown
- InChI
- InChI=1S/C10H8N2S/c1-5-11-6-2-9(1)13-10-3-7-12-8-4-10/h1-8H
- InChIKey
- XGJOFCCBFCHEHK-UHFFFAOYSA-N
- SMILES
- S(C1C=CN=CC=1)C1C=CN=CC=1
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- Hazard Codes
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- wgk
- WGK 3
- hs_code
- 29335990
- risk_code
- 22-36-40
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 36-26
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Applications
Uses4,4'-DIPYRIDYL SULFIDE is used as a ligand in the synthesis of MOF materials.
Upstream & downstream products
Upstream raw materials
Suppliers61 total
上海康恩博医药科技有限公司17510465506 · [email protected]
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Related reactions
1 records
Compound notes
Loading…