2-[[3-[2-[4-(Dimethylamino)phenyl]ethenyl]-5,5-dimethyl-2-cyclohexen-1-ylidene]methyl]-3-methylbenzothiazolium tetrafluoroborate
2-[[3-[2-[4-(Dimethylamino)phenyl]ethenyl]-5,5-dimethyl-2-cyclohexen-1-ylidene]methyl]-3-methylbenzothiazolium tetrafluoroborate · CAS 207683-25-8
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 2-[[3-[2-[4-(Dimethylamino)phenyl]ethenyl]-5,5-dimethyl-2-cyclohexen-1-ylidene]methyl]-3-methylbenzothiazolium tetrafluoroborate
- CAS
- 207683-25-8
- CID
- 71310164
- IUPAC 名称
- 4-[(E)-2-[(3E)-5,5-dimethyl-3-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]cyclohexen-1-yl]ethenyl]-N,N-dimethylaniline tetrafluoroborate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 2-[[3-[2-[4-(Dimethylamino)phenyl]ethenyl]-5,5-dimethyl-2-cyclohexen-1-ylidene]methyl]-3-methylbenzothiazolium tetrafluoroborate
- CAS
- 207683-25-8
- CID
- 71310164
- IUPAC 名称
- 4-[(E)-2-[(3E)-5,5-dimethyl-3-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]cyclohexen-1-yl]ethenyl]-N,N-dimethylaniline tetrafluoroborate
分子属性
- 分子式
- C27H31BF4N2S
- 分子量
- 502.4 g/mol
- 精确质量
- 502.223713 Da
- 单同位素质量
- 502.223713 Da
- XLogP
- 暂无
- 极性表面积
- 35.4 Ų
- 氢键供体
- 0
- 氢键受体
- 7
- 可旋转键
- 4
- 重原子数
- 35
- 净电荷
- 0
- 结构复杂度
- 700
结构标识
- InChIKey
- MKUBURXDQKVMOB-UHFFFAOYSA-N
- SMILES
- [B-](F)(F)(F)F.CC1(CC(=C/C(=C/C2=[N+](C3=CC=CC=C3S2)C)/C1)/C=C/C4=CC=C(C=C4)N(C)C)C
- InChI
- InChI=1S/C27H31N2S.BF4/c1-27(2)18-21(11-10-20-12-14-23(15-13-20)28(3)4)16-22(19-27)17-26-29(5)24-8-6-7-9-25(24)30-26;2-1(3,4)5/h6-17H,18-19H2,1-5H3;/q+1;-1