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CAS No.: | 321915-72-4 |
---|---|
Name: | 1,12-Bis[4-methyl-5-(2-hydroxyethyl)thiazol-3-ium-3-yl]dodecane dibromide |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C24H42Br2N2O2S2 |
Molecular Weight: | 614.55 |
Synonyms: | Thiazolium,3,3'-(1,12-dodecanediyl)bis[5-(2-hydroxyethyl)-4-methyl-, dibromide (9CI);1,12-Bis[4-methyl-5-(2-hydroxyethyl)thiazol-3-ium-3-yl]dodecane dibromide;Albitiazolium bromide;SAR 97276; |
PSA: | 104.70000 |
LogP: | -1.31980 |
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The 1,12-Bis[4-methyl-5-(2-hydroxyethyl)thiazol-3-ium-3-yl]dodecane dibromide, with cas registry number 321915-72-4, has the systematic name of 3,3'-dodecane-1,12-diylbis[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium] dibromide.
Physical properties about this chemical are: (1)#H bond acceptors: 4; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 19; (4)Polar Surface Area: 82.7 Å2.
You can still convert the following datas into molecular structure:
(1)SMILES: [Br-].[Br-].OCCc1sc[n+](c1C)CCCCCCCCCCCC[n+]2c(c(sc2)CCO)C
(2)InChI: InChI=1/C24H42N2O2S2.2BrH/c1-21-23(13-17-27)29-19-25(21)15-11-9-7-5-3-4-6-8-10-12-16-26-20-30-24(14-18-28)22(26)2;;/h19-20,27-28H,3-18H2,1-2H3;2*1H/q+2;;/p-2
(3)InChIKey: AFJCGBHHSKAACR-NUQVWONBAF
(4)Std. InChI: InChI=1S/C24H42N2O2S2.2BrH/c1-21-23(13-17-27)29-19-25(21)15-11-9-7-5-3-4-6-8-10-12-16-26-20-30-24(14-18-28)22(26)2;;/h19-20,27-28H,3-18H2,1-2H3;2*1H/q+2;;/p-2
(5)Std. InChIKey: AFJCGBHHSKAACR-UHFFFAOYSA-L