5-Amino-3-(methylsulfanyl)-1-phenyl-1H-pyrazole-4-carbonitrile
Basic information
- CAS
59334-11-1- Standard SMILES
CSc1nn(-c2ccccc2)c(N)c1C#N- InChIKey
IIOQJYJHSDCILE-UHFFFAOYSA-N- Molecular formula
- C11H10N4S
- Average molar mass
- 230.29 g/mol
- Monoisotopic mass
- 230.06261751
Names & identifiers
- Preferred name
- 5-Amino-3-(methylsulfanyl)-1-phenyl-1H-pyrazole-4-carbonitrile
- IUPAC
- 5-amino-3-methylsulfanyl-1-phenylpyrazole-4-carbonitrile
- English name
- 5-Amino-3-(methylthio)-1-phenyl-1H-pyrazole-4-carbonitrile
- Molecular formula
- C11H10N4S
- Molecular weight
- 230.29
Names & synonyms
59334-11-15-Amino-3-(Methylsulfanyl)-1-Phenyl-1h-Pyrazole-4-CarbonitrileDTXSID10353099RefChem:301009DTXCID103041625-amino-3-(methylthio)-1-phenyl-1H-pyrazole-4-carbonitrile5-amino-3-methylsulfanyl-1-phenylpyrazole-4-carbonitrileMFCD001738465-amino-3-methylthio-1-phenylpyrazole-4-carbonitrileMaybridge1_004867SCHEMBL574674HMS555F05
Show more names
5-AMINO-4-CYANO-3-(METHYLTHIO)-1-PHENYLPYRAZOLE1-Phenyl-3-(methylthio)-5-amino-1H-pyrazole-4-carbonitrile1H-Pyrazole-4-carbonitrile, 5-amino-3-(methylthio)-1-phenyl-
IIOQJYJHSDCILE-UHFFFAOYSA-NJCA33411SBB055853AKOS001111642SDCCGMLS-0066143.P001TS-00609DB-053367CS-0233838
Database identifiers
- CAS
59334-11-1- PubChem CID
- 736776
- DTXSID
DTXSID10353099- EC Number
- 999-554-2
- Nikkaji
- J322.640I
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 92.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 281
Physicochemical properties
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
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
- risk_code
- 22
- hazard_code
- Xn
Suppliers
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Related reactions
2 records
Compound notes
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