基本情報
- CAS
63665-81-6- 標準SMILES
CN1C(=CC(=Cc2sc3ccc4ccccc4c3[n+]2C)c2ccccc2)Sc2ccc3ccccc3c21.Cc1ccc(S(=O)(=O)[O-])cc1- InChIKey
FQEAOMQUSANKRE-UHFFFAOYSA-M- 分子式
- C40H32N2O3S3
- 平均分子量
- 684.9 g/mol
- 単同位体質量
- 684.15750641
名称と識別子
- 優先名称
- Naphtho(1,2-d)thiazolium, 1-methyl-2-(3-(1-methylnaphtho(1,2-d)thiazol-2(1H)-ylidene)-2-phenyl-1-propen-1-yl)-, 4-methylbenzenesulfonate (1:1)
- IUPAC
- 4-methylbenzenesulfonate;1-methyl-2-[3-(1-methylbenzo[e][1,3]benzothiazol-1-ium-2-yl)-2-phenylprop-2-enylidene]benzo[e][1,3]benzothiazole
名称と別名
EINECS 264-394-863665-81-6Naphtho(1,2-d)thiazolium, 1-methyl-2-(3-(1-methylnaphtho(1,2-d)thiazol-2(1H)-ylidene)-2-phenyl-1-propen-1-yl)-, 4-methylbenzenesulfonate (1:1)Naphtho(1,2-d)thiazolium, 1-methyl-2-(3-(1-methylnaphtho(1,2-d)thiazol-2(1H)-ylidene)-2-phenyl-1-propenyl)-, salt with 4-methylbenzenesulfonic acid (1:1)Naphtho[1,2-d]thiazolium, 1-methyl-2-[3-(1-methylnaphtho[1,2-d]thiazol-2(1H)-ylidene)-2-phenyl-1-propenyl]-, salt with 4-methylbenzenesulfonic acid (1:1)DTXSID9069974Naphtho[1,2-d]thiazolium, 1-methyl-2-[3-(1-methylnaphtho[1,2-d]thiazol-2(1H)-ylidene)-2-phenyl-1-propen-1-yl]-, 4-methylbenzenesulfonate (1:1)RefChem:164695DTXCID90440371-Methyl-2-(3-(1-methylnaphtho(1,2-d)thiazol-2(1H)-ylidene)-2-phenyl-1-propenyl)naphtho(1,2-d)thiazolium toluene-p-sulphonate1-methyl-2-[3-(1-methylnaphtho[1,2-d]thiazol-2(1H)-ylidene)-2-phenyl-1-propenyl]naphtho[1,2-d]thiazolium toluene-p-sulphonateFQEAOMQUSANKRE-UHFFFAOYSA-M
名称をさらに表示
DB-216157NS00087435
物性
構造計算による物性
- 極性表面積
- 126 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 6
- 回転可能結合数
- 3
- 重原子数
- 48
- 形式電荷
- 0
- 複雑度
- 1,010
化学と産業
用途と製造
General Manufacturing InformationNaphtho[1,2-d]thiazolium, 1-methyl-2-[3-(1-methylnaphtho[1,2-d]thiazol-2(1H)-ylidene)-2-phenyl-1-propen-1-yl]-, 4-methylbenzenesulfonate (1:1): INACTIVE
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化合物ノート
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