Completing data — usually done within a minute
Basic information
- Standard SMILES
Cc1ccc(Sc2c(CO)c(-c3ccccc3)nn2C)cc1- InChIKey
BALJAALTXMAPOH-UHFFFAOYSA-N- Molecular formula
- C18H18N2OS
- Average molar mass
- 310.422 g/mol
- Monoisotopic mass
- 310.1139842
Names & identifiers
- Preferred name
- 1-Methyl-5-[(4-methylphenyl)thio]-3-phenyl-1H-pyrazole-4-methanol
- IUPAC
- {1-Methyl-5-[(4-methylphenyl)sulfanyl]-3-phenyl-1H-pyrazol-4-yl}methanol
- English name
- (1-Methyl-5-[(4-methylphenyl)sulfanyl]-3-phenyl-1H-pyrazol-4-yl)methanol
- Molecular formula
- C18H18N2OS
- Molecular weight
- 310.41
Names & synonyms
1H-Pyrazole-4-methanol, 1-methyl-5-[(4-methylphenyl)thio]-3-phenyl-(1-Methyl-5-[(4-methylphenyl)sulfanyl]-3-phenyl-1H-pyrazol-4-yl)methanol
Database identifiers
- CAS
318233-99-7- PubChem CID
- 2763766
- DTXSID
DTXSID401168722- ChEMBL
CHEMBL1325762
Properties
Physicochemical properties
- Melting point
- 114 · 114-116°C
- Boiling point
- 511.6 · 511.6±50.0 °C(Predicted)
- Density
- 1.18 · 1.18±0.1 g/cm3(Predicted)
- pka
- 13.5 · 13.50±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers5 total
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
INTRCHM-FLUR[email protected]
BIONET-INTER[email protected]
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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