[2-[N-ethyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)azo]-m-toluidino]ethyl]trimethylammonium (CAS 31616-66-7) — formula C22H29N6S+, molecular weight 409.6; category organic chemicals.
| CAS Number | 31616-66-7 |
|---|---|
| Molecular Formula | C22H29N6S+ |
| Molecular Weight | 409.6 |
| LogP | 5.4 |
| Category | Organic Chemicals |
[2-[N-ethyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)azo]-m-toluidino]ethyl]trimethylammonium is a carbon-based organic compound with CAS registry number 31616-66-7 and molecular formula C22H29N6S+ (molecular weight 409.6), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 31616-66-7
Its molecular formula C22H29N6S+ comprises 22 C, 29 H, 6 N, 1 S atoms.
Also known as: [2-[N-ethyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)azo]-m-toluidino]ethyl]trimethylammonium · [2-[N-乙基-4-[(3-苯基-1,2,4-噻二唑-5-基)偶氮]-间甲苯胺基]乙基]三甲基铵
Category: organic chemicals
The CAS registry number of [2-[N-ethyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)azo]-m-toluidino]ethyl]trimethylammonium is 31616-66-7.
Molecular formula C22H29N6S+, molecular weight 409.6.
It is also registered under: [2-[N-ethyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)azo]-m-toluidino]ethyl]trimethylammonium, [2-[N-乙基-4-[(3-苯基-1,2,4-噻二唑-5-基)偶氮]-间甲苯胺基]乙基]三甲基铵.
Category: Organic Chemicals.
Independent reference data for [2-[N-ethyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)azo]-m-toluidino]ethyl]trimethylammonium (CAS 31616-66-7), compiled from public chemistry databases.
| CAS 号 | 31616-66-7 |
|---|---|
| PubChem CID | 161600 |
| 分子式 | C22H29N6S+ |
| IUPAC 名称 | 2-[N-ethyl-3-methyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)diazenyl]anilino]ethyl-trimethylazanium |
| UNII（FDA） | NS00084226 |
| Molecular Weight | 409.6 |
|---|---|
| XLogP3 | 5.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 8 |
| Exact Mass | 409.21744112 |
| Monoisotopic Mass | 409.21744112 |
| Topological Polar Surface Area | 82 |
| Heavy Atom Count | 29 |
31616-66-7; 2-(Ethyl(3-methyl-4-(2-(3-phenyl-1,2,4-thiadiazol-5-yl)diazenyl)phenyl)amino)-N,N,N-trimethylethanaminium; 2-[Ethyl[3-methyl-4-[2-(3-phenyl-1,2,4-thiadiazol-5-yl)diazenyl]phenyl]amino]-N,N,N-trimethylethanaminium; RefChem:253973; (2-(N-Ethyl-4-((3-phenyl-1,2,4-thiadiazol-5-yl)azo)-m-toluidino)ethyl)trimethylammonium; EINECS 250-733-7; DTXSID10865425; OBOPQJVCYIBVIV-UHFFFAOYSA-N; NS00084226; 2-(Ethyl{3-methyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)diazenyl]phenyl}amino)-N,N,N-trimethylethan-1-aminium
[2-[N-乙基-4-[(3-苯基-1,2,4-噻二唑-5-基)偶氮]-间甲苯胺基]乙基]三甲基铵 · CAS 31616-66-7 · C22H29N6S+. UNII NS00084226.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.