Benzothiazolium, 3-ethyl-2-(2-((3-(2-hydroxyethyl)-6-methoxy-5-methyl-2(3H)-benzothiazolylidene)methyl)-1-buten-1-yl)-6-methoxy-5-methyl-, iodide (1:1)
基本情報
- CAS
63815-94-1- 標準SMILES
CCC(=Cc1sc2cc(OC)c(C)cc2[n+]1CCO)C=C1Sc2cc(OC)c(C)cc2N1CC.[I-]- InChIKey
FQITWMPLHQNZBR-UHFFFAOYSA-M- 分子式
- C27H33IN2O3S2
- 平均分子量
- 624.6 g/mol
- 単同位体質量
- 624.09773
名称と識別子
- 優先名称
- Benzothiazolium, 3-ethyl-2-(2-((3-(2-hydroxyethyl)-6-methoxy-5-methyl-2(3H)-benzothiazolylidene)methyl)-1-buten-1-yl)-6-methoxy-5-methyl-, iodide (1:1)
- IUPAC
- 2-[2-[2-[(3-ethyl-6-methoxy-5-methyl-1,3-benzothiazol-2-ylidene)methyl]but-1-enyl]-6-methoxy-5-methyl-1,3-benzothiazol-3-ium-3-yl]ethanol iodide
名称と別名
EINECS 264-482-663815-94-1Benzothiazolium, 3-ethyl-2-(2-((3-(2-hydroxyethyl)-6-methoxy-5-methyl-2(3H)-benzothiazolylidene)methyl)-1-butenyl)-6-methoxy-5-methyl-, iodideBenzothiazolium, 3-ethyl-2-(2-((3-(2-hydroxyethyl)-6-methoxy-5-methyl-2(3H)-benzothiazolylidene)methyl)-1-buten-1-yl)-6-methoxy-5-methyl-, iodide (1:1)Benzothiazolium, 3-ethyl-2-[2-[[3-(2-hydroxyethyl)-6-methoxy-5-methyl-2(3H)-benzothiazolylidene]methyl]-1-butenyl]-6-methoxy-5-methyl-, iodideDTXSID40886320Benzothiazolium, 3-ethyl-2-[2-[[3-(2-hydroxyethyl)-6-methoxy-5-methyl-2(3H)-benzothiazolylidene]methyl]-1-buten-1-yl]-6-methoxy-5-methyl-, iodide (1:1)RefChem:118635DTXCID5010256543-ETHYL-2-[2-[[3-(2-HYDROXYETHYL)-6-METHOXY-5-METHYL-3H-BENZOTHIAZOL-2-YLIDENE]METHYL]BUT-1-ENYL]-6-METHOXY-5-METHYLBENZOTHIAZOLIUM IODIDE3-Ethyl-2-(2-((3-(2-hydroxyethyl)-6-methoxy-5-methyl-3H-benzothiazol-2-ylidene)methyl)but-1-enyl)-6-methoxy-5-methylbenzothiazolium iodideFQITWMPLHQNZBR-UHFFFAOYSA-M
名称をさらに表示
NS00054768
物性
構造計算による物性
- 極性表面積
- 99.4 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 7
- 回転可能結合数
- 8
- 重原子数
- 35
- 形式電荷
- 0
- 複雑度
- 747
化学と産業
用途と製造
General Manufacturing InformationBenzothiazolium, 3-ethyl-2-[2-[[3-(2-hydroxyethyl)-6-methoxy-5-methyl-2(3H)-benzothiazolylidene]methyl]-1-buten-1-yl]-6-methoxy-5-methyl-, iodide (1:1): INACTIVE
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