83969-12-4
5-(DIISOPROPYLAMINO)-2-[[4-(DIMETHYLAMINO)PHENYL]AZO]-3-METHYL-1,3,4-THIADIAZOLIUM METHYL SULPHATE
Name
5-(DIISOPROPYLAMINO)-2-[[4-(DIMETHYLAMINO)PHENYL]AZO]-3-METHYL-1,3,4-THIADIAZOLIUM METHYL SULPHATE
Formula
C17 H27 N6 S . C H3 O4 S
MolWeight
458.605
1Identification
【Name】
5-(DIISOPROPYLAMINO)-2-[[4-(DIMETHYLAMINO)PHENYL]AZO]-3-METHYL-1,3,4-THIADIAZOLIUM METHYL SULPHATE
【CAS】
【MDL】
MFCD23142904
【English Synonyms】
【Formula】
C17 H27 N6 S . C H3 O4 S
【MolWeight】
458.605
【Inchi】
InChI=1S/C17H27N6S.CH4O4S/c1-12(2)23(13(3)4)17-20-22(7)16(24-17)19-18-14-8-10-15(11-9-14)21(5)6;1-5-6(2,3)4/h8-13H,1-7H3;1H3,(H,2,3,4)/q+1;/p-1
【InChIKey】
InChIKey=MLTFWXODZCFGQN-UHFFFAOYSA-M
【SMILES】
CC(C)N(c1n[n+](c(s1)/N=N/c2ccc(cc2)N(C)C)C)C(C)C.COS(=O)(=O)[O-]
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:2.0
Bulk/Fine:F