571153-14-5
N,N-DIETHYL-3-(5-MERCAPTO-4-METHYL-4H-[1,2,4]TRIAZOL-3-YL)-BENZENESULFONAMIDE
NameN,N-DIETHYL-3-(5-MERCAPTO-4-METHYL-4H-[1,2,4]TRIAZOL-3-YL)-BENZENESULFONAMIDE
1Identification
【Name】
N,N-DIETHYL-3-(5-MERCAPTO-4-METHYL-4H-[1,2,4]TRIAZOL-3-YL)-BENZENESULFONAMIDE
【CAS】
【MDL】
MFCD03984476
【English Synonyms】
【Formula】
C13 H18 N4 O2 S2
【MolWeight】
326.443
【Inchi】
InChI=1S/C13H18N4O2S2/c1-4-17(5-2)21(18,19)11-8-6-7-10(9-11)12-14-15-13(20)16(12)3/h6-9H,4-5H2,1-3H3,(H,15,20)
【InChIKey】
InChIKey=PZJDIELBRRRAGY-UHFFFAOYSA-N
【SMILES】
CCN(CC)S(=O)(=O)c1cccc(c1)c2nnc(n2C)S
【MOL File】
N,N-DIETHYL-3-(5-MER….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N,N-DIETHYL-3-(5-MERCAPTO-4-METHYL-4H-[1,2,4]TRIAZOL-3-YL)-BENZENESULFONAMIDE.cml