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88398-95-2 | 1H-Pyrazole-4-sulfonamide, N,N,1,3-tetramethyl-5-[(phenylmethyl)thio]-
CAS No: 88398-95-2 Catalog No: AG004L8Q MDL No:
Product Description
Catalog Number:
AG004L8Q
Chemical Name:
1H-Pyrazole-4-sulfonamide, N,N,1,3-tetramethyl-5-[(phenylmethyl)thio]-
CAS Number:
88398-95-2
Molecular Formula:
C14H19N3O2S2
Molecular Weight:
325.4496
IUPAC Name:
5-benzylsulfanyl-N,N,1,3-tetramethylpyrazole-4-sulfonamide
InChI:
InChI=1S/C14H19N3O2S2/c1-11-13(21(18,19)16(2)3)14(17(4)15-11)20-10-12-8-6-5-7-9-12/h5-9H,10H2,1-4H3
InChI Key:
YVAPYMRBCFIZEG-UHFFFAOYSA-N
SMILES:
Cn1nc(c(c1SCc1ccccc1)S(=O)(=O)N(C)C)C
Properties
Complexity:
430
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.092g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
325.445g/mol
Monoisotopic Mass:
325.092g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
88.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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