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Home Sulfos 1-(4-Methylphenylsulfonyl)-1,2,4-triazole

1-(4-Methylphenylsulfonyl)-1,2,4-triazole

CAS No.:
13578-51-3
Catalog Number:
AG00HUEC
Molecular Formula:
C9H9N3O2S
Molecular Weight:
223.2517
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$19
- +
5g
98%
In Stock USA
United States
$75
- +
10g
98%
In Stock USA
United States
$132
- +
25g
98%
In Stock USA
United States
$263
- +
Product Description
Catalog Number:
AG00HUEC
Chemical Name:
1-(4-Methylphenylsulfonyl)-1,2,4-triazole
CAS Number:
13578-51-3
Molecular Formula:
C9H9N3O2S
Molecular Weight:
223.2517
MDL Number:
MFCD00458591
IUPAC Name:
1-(4-methylphenyl)sulfonyl-1,2,4-triazole
InChI:
InChI=1S/C9H9N3O2S/c1-8-2-4-9(5-3-8)15(13,14)12-7-10-6-11-12/h2-7H,1H3
InChI Key:
GFWABQNSSIQCLB-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)n1ncnc1
Properties
Complexity:
304  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.042g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.25g/mol
Monoisotopic Mass:
223.042g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Literature
Title Journal
Regioselective sulfonylation at O-2 of cyclomaltoheptaose with 1-(p-tolylsulfonyl)-(1H)-1,2,4-triazole. Carbohydrate research 20030214
Properties