CAS 6126-10-9 1-Tosylpyrozole (HCID 320750)

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Basic information

CAS: 6126-10-9
Standard SMILES: Cc1ccc(S(=O)(=O)n2cccn2)cc1
InChIKey: XDFZXGSBGXAPLS-UHFFFAOYSA-N
Molecular formula: C10H10N2O2S
Average molar mass: 222.27 g/mol
Monoisotopic mass: 222.04629874

Names & identifiers

Preferred name: 1-Tosylpyrozole
IUPAC: 1-(4-methylphenyl)sulfonylpyrazole
English name: 1-TOSYLPYRAZOLE
Molecular formula: C10H10N2O2S
Molecular weight: 222.26

Names & synonyms

1-Tosylpyrozole6126-10-91-Tosyl-1H-pyrazole1-TOSYLPYRAZOLE1-(4-methylphenyl)sulfonylpyrazole1-(4-Toluenesulfonyl)pyrazoleMFCD029423401H-Pyrazole, 1-[(4-methylphenyl)sulfonyl]-1-[(4-methylphenyl)sulfonyl]-1H-pyrazoleNSC269428Cambridge id 7266457STK432193

Show more names

1-methylbenzenesulfonylpyridineazole

NSC-269428AB90974AC-136711-Tosylpyrazol1-(4-Toluenesulfonyl)-1H-pyrazoleFT-07139881-(p-tolylsulfonyl)pyrazoleA918497

Database identifiers

CAS: 6126-10-9
PubChem CID: 320750
DTXSID: DTXSID00313364
Nikkaji: J910.362G

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 60.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 302

Physicochemical properties

storage temp.: 2 · 2-8°C
InChI: InChI=1S/C10H10N2O2S/c1-9-3-5-10(6-4-9)15(13,14)12-8-2-7-11-12/h2-8H,1H3
InChIKey: XDFZXGSBGXAPLS-UHFFFAOYSA-N
SMILES: N1(S(C2=CC=C(C)C=C2)(=O)=O)C=CC=N1
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501