4-[(1E,3E)-4-(3-ethylbenzothiazol-2-yl)buta-1,3-dienyl]-N,N-dimethyl-aniline (114720-33-1)

The systematic name of Styryl 7 is 2-{(1E,3E)-4-[4-(dimethylamino)phenyl]buta-1,3-dien-1-yl}-3-ethyl-1,3-benzothiazol-3-ium 4-methylbenzenesulfonate. With the CAS registry number 114720-33-1, it is also named as 2-[4-[4-(Dimethylamino)phenyl]-1,3-butadienyl]-3-ethylbenzothiazolium p-toluenesulfonate. Moreover, its molecular formula is C₂₈H₃₀N₂O₃S₂ and its molecular weight is 506.68. In addition, the product is dark green metallic fine powder, which should be stored in closed, cool and dry place.

The other characteristics of Styryl 7 can be summarized as: (1)H bond acceptors: 5; (2)H bond donors: 1; (3)Freely Rotating Bonds: 6; (4)Polar Surface Area: 100.94 Å²; (5)XlogP:5.9; (6)Melting point: 215 °C.

When you are using this chemical, please be cautious about it as the following: Styryl 7 is irritating to eyes, respiratory system and skin, it is also harmful by inhalation, in contact with skin and if swallowed. Please wear suitable protective clothing and gloves. Moreover, in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
(1)SMILES:[O-]S(=O)(=O)c1ccc(cc1)C.s2c1ccccc1[n+](c2\C=C\C=C\c3ccc(N(C)C)cc3)CC
(2)InChI:InChI=1/C21H23N2S.C7H8O3S/c1-4-23-19-10-6-7-11-20(19)24-21(23)12-8-5-9-17-13-15-18(16-14-17)22(2)3;1-6-2-4-7(5-3-6)11(8,9)10/h5-16H,4H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
(3)InChIKey:GJJVQOSJWDZAQM-REWHXWOFAJ
(4)Std. InChI:InChI=1S/C21H23N2S.C7H8O3S/c1-4-23-19-10-6-7-11-20(19)24-21(23)12-8-5-9-17-13-15-18(16-14-17)22(2)3;1-6-2-4-7(5-3-6)11(8,9)10/h5-16H,4H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
(5)Std. InChIKey:GJJVQOSJWDZAQM-UHFFFAOYSA-M