571154-99-9
3-(4-AMINO-5-MERCAPTO-4H-[1,2,4]TRIAZOL-3-YL)-N,N-DIMETHYL-BENZENESULFONAMIDE
Name3-(4-AMINO-5-MERCAPTO-4H-[1,2,4]TRIAZOL-3-YL)-N,N-DIMETHYL-BENZENESULFONAMIDE
1Identification
【Name】
3-(4-AMINO-5-MERCAPTO-4H-[1,2,4]TRIAZOL-3-YL)-N,N-DIMETHYL-BENZENESULFONAMIDE
【CAS】
【MDL】
MFCD03985192
【English Synonyms】
【Formula】
C10 H13 N5 O2 S2
【MolWeight】
299.378
【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)
【InChIKey】
InChIKey=WYZQOLSGUNXYJD-UHFFFAOYSA-N
【SMILES】
CN(C)S(=O)(=O)c1cccc(c1)c2nnc(n2N)S
【MOL File】
3-(4-AMINO-5-MERCAPT….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(4-AMINO-5-MERCAPTO-4H-[1,2,4]TRIAZOL-3-YL)-N,N-DIMETHYL-BENZENESULFONAMIDE.cml