2-Isothiocyanatopyridine,dimer
Basic information
- CAS
54026-17-4- Standard SMILES
S=c1nc2ccccn2c(=S)n1-c1ccccn1- InChIKey
UJOKWUUEVJNBCX-UHFFFAOYSA-N- Molecular formula
- C12H8N4S2
- Average molar mass
- 272.4 g/mol
- Monoisotopic mass
- 272.01903862
Overview
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Names & identifiers
- Preferred name
- 2-Isothiocyanatopyridine,dimer
- IUPAC
- 3-pyridin-2-ylpyrido[1,2-a][1,3,5]triazine-2,4-dithione
- English name
- 2-ISOTHIOCYANATOPYRIDINE, DIMER
- Molecular formula
- C12H8N4S2
- Molecular weight
- 272.35
Names & synonyms
54026-17-42-ISOTHIOCYANATOPYRIDINE,DIMER3-(Pyridin-2-yl)-2H-pyrido[1,2-a][1,3,5]triazine-2,4(3H)-dithione3-pyridin-2-ylpyrido[1,2-a][1,3,5]triazine-2,4-dithioneNSC155040SCHEMBL11826298DTXSID00968858UJOKWUUEVJNBCX-UHFFFAOYSA-NAKOS015898373NSC-155040DB-0524613-(2-pyridyl) pyrido (1,2-a) 1,3,5-triazine-2,4-dithione
Show more names
2-ISOTHIOCYANATOPYRIDINE, DIMER3-(2-PYRIDINYL)-2H-PYRIDO(1 2-A)-1 3 5-&3-(2-PYRIDINYL)-2H-PYRIDO[1,2-A]-1,3,5-TRIAZINE-2,4(3H)-DITHIONE2H-Pyrido[1,2-a]-1,3,5-triazine-2,4(3H)-dithione, 3-(2-pyridinyl)-
Database identifiers
- CAS
54026-17-4- PubChem CID
- 290785
- DTXSID
DTXSID00968858- Nikkaji
- J2.021.249G
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 95.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 480
Physicochemical properties
- Melting point
- 107 · 107-111 °C(lit.)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H319-H315-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Suppliers
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Related reactions
2 records
Compound notes
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