2,6-Dichloropyridine-4-thiol
Basic information
- CAS
33256-13-2- Standard SMILES
S=c1cc(Cl)[nH]c(Cl)c1- InChIKey
DHUXPYJYZVCBJX-UHFFFAOYSA-N- Molecular formula
- C5H3Cl2NS
- Average molar mass
- 180.05 g/mol
- Monoisotopic mass
- 178.9363257
Names & identifiers
- Preferred name
- 2,6-Dichloropyridine-4-thiol
- IUPAC
- 2,6-dichloro-1H-pyridine-4-thione
- English name
- 2,6-dichloropyridine-4-thiol
- Molecular formula
- C5H3Cl2NS
- Molecular weight
- 180.05
Names & synonyms
2,6-Dichloropyridine-4-thiolRefChem:445485856-890-333256-13-22,6-dichloro-1H-pyridine-4-thioneSCHEMBL17398062DTXSID207026752,6-Dichloropyridine-4(1H)-thioneDB-329697CS-0216239EN300-3706362,6-Dichloro-4-pyridinethiol
Show more names
4-Pyridinethiol, 2,6-dichloro-
Database identifiers
- CAS
33256-13-2- PubChem CID
- 53440596
- DTXSID
DTXSID20702675- EC Number
- 856-890-3
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 187
Physicochemical properties
- Boiling point
- 283.1 · 283.1±35.0 °C(Predicted)
- Density
- 1.51 · 1.510±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 3.47 · 3.47±0.15(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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