Basic information
- CAS
63432-37-1- Standard SMILES
CSc1nn2ccccc2c1[N+](=O)[O-]- InChIKey
DBOKFPYOOZIULN-UHFFFAOYSA-N- Molecular formula
- C8H7N3O2S
- Average molar mass
- 209.23 g/mol
- Monoisotopic mass
- 209.02589765
Names & identifiers
- Preferred name
- 2-(Methylsulfanyl)-3-nitropyrazolo(1,5-a)pyridine
- IUPAC
- 2-methylsulfanyl-3-nitropyrazolo[1,5-a]pyridine
Names & synonyms
2-(methylthio)-3-nitropyrazolo[1,5-a]pyridineDTXSID40494863EC 696-235-72-(Methylsulfanyl)-3-nitropyrazolo(1,5-a)pyridine2-(methylsulfanyl)-3-nitropyrazolo[1,5-a]pyridine2-(Methylthio)-3-nitropyrazolo(1,5-a)pyridineRefChem:461364DTXCID40445673696-235-763432-37-1SCHEMBL1840584DBOKFPYOOZIULN-UHFFFAOYSA-N
Show more names
NS000091572-methylthio-3-nitropyrazolo[1,5-a]pyridine
Database identifiers
- CAS
63432-37-1- PubChem CID
- 12371636
- DTXSID
DTXSID40494863- EC Number
- 696-235-7
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 88.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 233
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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: 2-(methylsulfanyl)-3-nitropyrazolo[1,5-a]pyridine (EC: 696-235-7)
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
5 records
Compound notes
Loading…