Home Sulfos 3-(4-Amino-5-mercapto-4h-[1,2,4]triazol-3-yl)-n,n-dimethyl-benzenesulfonamide

3-(4-Amino-5-mercapto-4h-[1,2,4]triazol-3-yl)-n,n-dimethyl-benzenesulfonamide

CAS No.:
571154-99-9
Catalog Number:
AG00IA6W
Molecular Formula:
C10H13N5O2S2
Molecular Weight:
299.3725
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Product Description
Catalog Number:
AG00IA6W
Chemical Name:
3-(4-Amino-5-mercapto-4h-[1,2,4]triazol-3-yl)-n,n-dimethyl-benzenesulfonamide
CAS Number:
571154-99-9
Molecular Formula:
C10H13N5O2S2
Molecular Weight:
299.3725
MDL Number:
MFCD03985192
IUPAC Name:
3-(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-N,N-dimethylbenzenesulfonamide
InChI:
InChI=1S/C10H13N5O2S2/c1-14(2)19(16,17)8-5-3-4-7(6-8)9-12-13-10(18)15(9)11/h3-6H,11H2,1-2H3,(H,13,18)
InChI Key:
WYZQOLSGUNXYJD-UHFFFAOYSA-N
SMILES:
Nn1c(S)nnc1c1cccc(c1)S(=O)(=O)N(C)C
Properties
Complexity:
497  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.051g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
299.367g/mol
Monoisotopic Mass:
299.051g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Properties