2-[[4-[butyl(2-cyanoethyl)amino]phenyl]azo]-6-methoxy-3-methylbenzothiazolium acetate (CAS 85005-71-6) — formula C24H29N5O3S, molecular weight 467.6; category organic chemicals.
| CAS Number | 85005-71-6 |
|---|---|
| Molecular Formula | C24H29N5O3S |
| Molecular Weight | 467.6 |
| Category | Organic Chemicals |
2-[[4-[butyl(2-cyanoethyl)amino]phenyl]azo]-6-methoxy-3-methylbenzothiazolium acetate is a carbon-based organic compound with CAS registry number 85005-71-6 and molecular formula C24H29N5O3S (molecular weight 467.6), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 85005-71-6
Its molecular formula C24H29N5O3S comprises 24 C, 29 H, 5 N, 3 O, 1 S atoms.
Also known as: 2-[[4-[butyl(2-cyanoethyl)amino]phenyl]azo]-6-methoxy-3-methylbenzothiazolium acetate · 2-[[4-[丁基(2-氰乙基)氨基]苯基]偶氮]-6-甲氧基-3-甲基苯并噻唑乙酸盐
Category: organic chemicals
The CAS registry number of 2-[[4-[butyl(2-cyanoethyl)amino]phenyl]azo]-6-methoxy-3-methylbenzothiazolium acetate is 85005-71-6.
Molecular formula C24H29N5O3S, molecular weight 467.6.
It is also registered under: 2-[[4-[butyl(2-cyanoethyl)amino]phenyl]azo]-6-methoxy-3-methylbenzothiazolium acetate, 2-[[4-[丁基(2-氰乙基)氨基]苯基]偶氮]-6-甲氧基-3-甲基苯并噻唑乙酸盐.
Category: Organic Chemicals.
Independent reference data for 2-[[4-[butyl(2-cyanoethyl)amino]phenyl]azo]-6-methoxy-3-methylbenzothiazolium acetate (CAS 85005-71-6), compiled from public chemistry databases.
| CAS 号 | 85005-71-6 |
|---|---|
| PubChem CID | 25079292 |
| 分子式 | C24H29N5O3S |
| IUPAC 名称 | 3-[N-butyl-4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]anilino]propanenitrile acetate |
| UNII（FDA） | J2P8VKD7O5 |
| Molecular Weight | 467.6 |
|---|---|
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 9 |
| Exact Mass | 467.19911098 |
| Monoisotopic Mass | 467.19911098 |
| Topological Polar Surface Area | 133 |
| Heavy Atom Count | 33 |
85005-71-6; EINECS 285-003-7; J2P8VKD7O5; 2-((4-(Butyl(2-cyanoethyl)amino)phenyl)azo)-6-methoxy-3-methylbenzothiazolium acetate; UNII-J2P8VKD7O5; Benzothiazolium, 2-((4-(butyl(2-cyanoethyl)amino)phenyl)azo)-6-methoxy-3-methyl-, acetate; DTXSID30234058; KWKWNGFYXFQAEC-UHFFFAOYSA-M; NS00089447; 2-[(E)-{4-[Butyl(2-cyanoethyl)amino]phenyl}diazenyl]-6-methoxy-3-methyl-1,3-benzothiazol-3-ium acetate
2-[[4-[丁基(2-氰乙基)氨基]苯基]偶氮]-6-甲氧基-3-甲基苯并噻唑乙酸盐 · CAS 85005-71-6 · C24H29N5O3S. UNII J2P8VKD7O5.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.