Benzothiazolium, 2-(4-(dimethylamino)phenyl)-3-methyl-, tetracosa-mu-oxododecaoxo(mu12-(phosphato(3-)-O:O:O:O':O':O':O'':O'':O'':O''':O''':O'''))dodecamolybdate(3-) (3:1)
基本情報
- CAS
68334-63-4- 標準SMILES
C.C.CN(C)c1ccc(-c2sc3ccccc3[n+]2C)cc1.CN(C)c1ccc(-c2sc3ccccc3[n+]2C)cc1.CN(C)c1ccc(-c2sc3ccccc3[n+]2C)cc1- InChIKey
LLJNPOFVEQIZBK-UHFFFAOYSA-N- 分子式
- C50H59N6S3+3
- 平均分子量
- 840.2 g/mol
- 単同位体質量
- 839.39633443
名称と識別子
- 優先名称
- Benzothiazolium, 2-(4-(dimethylamino)phenyl)-3-methyl-, tetracosa-mu-oxododecaoxo(mu12-(phosphato(3-)-O:O:O:O':O':O':O'':O'':O'':O''':O''':O'''))dodecamolybdate(3-) (3:1)
- IUPAC
- tris(N,N-dimethyl-4-(3-methyl-1,3-benzothiazol-3-ium-2-yl)aniline);methane
名称と別名
EINECS 269-838-468334-63-4Benzothiazolium, 2-(4-(dimethylamino)phenyl)-3-methyl-, tetracosa-mu-oxododecaoxo(mu12-(phosphato(3-)-O:O:O:O':O':O':O'':O'':O'':O''':O''':O'''))dodecamolybdate(3-) (3:1)LLJNPOFVEQIZBK-UHFFFAOYSA-NEINECS 270-597-268444-40-6Benzothiazolium, 2-(4-(dimethylamino)phenyl)-3-methyl-, tetracosa-mu-oxododecaoxo(mu12-(phosphato(3-)-kappaO:kappaO:kappaO:kappaO':kappaO':kappaO':kappaO'':kappaO'':kappaO'':kappaO''':kappaO''':kappaO'''))dodecamolybdate(3-) (3:1)Benzothiazolium, 2-(4-(dimethylamino)phenyl)-3-methyl-, tetracosa-mu-oxododecaoxo(mu12-(phosphato(3-)-kappaO:kappaO:kappaO:kappaO':kappaO':kappaO':kappaO'':kappaO'':kappaO'':kappaO''':kappaO''':kappaO'''))dodecatungstate(3-) (3:1)Benzothiazolium, 2-(4-(dimethylamino)phenyl)-3-methyl-, tetracosa-mu-oxododecaoxo(mu12-(phosphato(3-)-O:O:O:O':O':O':O'':O'':O'':O''':O''':O'''))dodecatungstate(3-) (3:1)Tris(2-(4-(dimethylamino)phenyl)-3-methylbenzothiazolium) tetracosa-mu-oxododecaoxo(mu12-(phosphato(3-)-O:O:O:O':O':O':O'':O'':O'':O''':O''':O'''))dodecawolframate(3-)Tris(2-(4-(dimethylamino)phenyl)-3-methylbenzothiazolium) tetracosaoxododecaoxo(mu12-(phosphato(3-)-O:O:O:O':O':O':O'':O'':O'':O''':O''':O'''))dodecamolybdate(3-) C16H17N2S.1/3Mo12O40P
物性
構造計算による物性
- 極性表面積
- 106 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
- 6
- 重原子数
- 59
- 形式電荷
- 3
- 複雑度
- 299
化学と産業
用途と製造
General Manufacturing Information
Benzothiazolium, 2-[4-(dimethylamino)phenyl]-3-methyl-, tetracosa-.mu.-oxododecaoxo[.mu.12-[phosphato(3-)-.kappa.O:.kappa.O:.kappa.O:.kappa.O':.kappa.O':.kappa.O':.kappa.O'':.kappa.O'':.kappa.O'':.kappa.O''':.kappa.O''':.kappa.O''']]dodecamolybdate(3-) (3:1): INACTIVE
Benzothiazolium, 2-[4-(dimethylamino)phenyl]-3-methyl-, tetracosa-.mu.-oxododecaoxo[.mu.12-[phosphato(3-)-.kappa.O:.kappa.O:.kappa.O:.kappa.O':.kappa.O':.kappa.O':.kappa.O'':.kappa.O'':.kappa.O'':.kappa.O''':.kappa.O''':.kappa.O''']]dodecatungstate(3-) (3:1): INACTIVE
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