Home Other Building Blocks 4-(benzylsulfanyl)-3-(difluoromethyl)-1H-pyrazole

4-(benzylsulfanyl)-3-(difluoromethyl)-1H-pyrazole

CAS No.:
1803562-25-5
Catalog Number:
AG01B9YJ
Molecular Formula:
C11H10F2N2S
Molecular Weight:
240.2723
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Product Description
Catalog Number:
AG01B9YJ
Chemical Name:
4-(benzylsulfanyl)-3-(difluoromethyl)-1H-pyrazole
CAS Number:
1803562-25-5
Molecular Formula:
C11H10F2N2S
Molecular Weight:
240.2723
MDL Number:
MFCD28397439
IUPAC Name:
4-benzylsulfanyl-5-(difluoromethyl)-1H-pyrazole
InChI:
InChI=1S/C11H10F2N2S/c12-11(13)10-9(6-14-15-10)16-7-8-4-2-1-3-5-8/h1-6,11H,7H2,(H,14,15)
InChI Key:
PSVFLPIHERYKFZ-UHFFFAOYSA-N
SMILES:
FC(c1n[nH]cc1SCc1ccccc1)F
Properties
Complexity:
210  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.053g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
240.272g/mol
Monoisotopic Mass:
240.053g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties