Basic information
- CAS
1004193-53-6- Standard SMILES
S=C=Nc1cnn(Cc2ccccc2)c1- InChIKey
YAWATBUXJZFBPI-UHFFFAOYSA-N- Molecular formula
- C11H9N3S
- Average molar mass
- 215.28 g/mol
Names & identifiers
- Preferred name
- 1-benzyl-4-isothiocyanato-1H-pyrazole
- IUPAC
- 1-benzyl-4-isothiocyanatopyrazole
- English name
- 1-Benzyl-4-isothiocyanato-1H-pyrazole
- Molecular formula
- C11H9N3S
- Molecular weight
- 215.27
Names & synonyms
1-benzyl-4-isothiocyanato-1H-pyrazole1004193-53-61-benzyl-4-isothiocyanatopyrazole1-benzylpyrazol-4-isothiocyanateMFCD049687471-benzyl-4-isothiocyanato-pyrazoleSBB021640AKOS000307644ST45091263EN300-229244F025913AKOS B017708
Show more names
ART-CHEM-BB B0177081H-Pyrazole, 4-isothiocyanato-1-(phenylmethyl)-
Database identifiers
- CAS
1004193-53-6
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 62.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 244
Chemistry & industry
Suppliers6 total
Fluorochem Ltd[email protected]
FLRO-SR[email protected]
OAKWOOD[email protected]
ART-CHEM-BB[email protected]
CHEMCOLLECT[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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