3-allyl-5-[2-chloro-4-(3-methylbenzothiazol-2(3H)-ylidene)but-2-enylidene]-2-thioxothiazolidin-4-one (CAS 94386-44-4) — formula C18H15ClN2OS3, molecular weight 407.0; category organic chemicals.
| CAS Number | 94386-44-4 |
|---|---|
| Molecular Formula | C18H15ClN2OS3 |
| Molecular Weight | 407.0 |
| LogP | 5.5 |
| Category | Organic Chemicals |
3-allyl-5-[2-chloro-4-(3-methylbenzothiazol-2(3H)-ylidene)but-2-enylidene]-2-thioxothiazolidin-4-one is a carbon-based organic compound with CAS registry number 94386-44-4 and molecular formula C18H15ClN2OS3 (molecular weight 407.0), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 94386-44-4
Its molecular formula C18H15ClN2OS3 comprises 18 C, 15 H, 1 Cl, 2 N, 1 O, 3 S atoms.
Also known as: 3-allyl-5-[2-chloro-4-(3-methylbenzothiazol-2(3H)-ylidene)but-2-enylidene]-2-thioxothiazolidin-4-one · 3-烯丙基-5-[2-氯-4-(3-甲基苯并噻唑-2(3H)-亚基)丁-2-亚基]-2-硫代噻唑烷-4-酮
Category: organic chemicals
The CAS registry number of 3-allyl-5-[2-chloro-4-(3-methylbenzothiazol-2(3H)-ylidene)but-2-enylidene]-2-thioxothiazolidin-4-one is 94386-44-4.
Molecular formula C18H15ClN2OS3, molecular weight 407.0.
It is also registered under: 3-allyl-5-[2-chloro-4-(3-methylbenzothiazol-2(3H)-ylidene)but-2-enylidene]-2-thioxothiazolidin-4-one, 3-烯丙基-5-[2-氯-4-(3-甲基苯并噻唑-2(3H)-亚基)丁-2-亚基]-2-硫代噻唑烷-4-酮.
Category: Organic Chemicals.
Independent reference data for 3-allyl-5-[2-chloro-4-(3-methylbenzothiazol-2(3H)-ylidene)but-2-enylidene]-2-thioxothiazolidin-4-one (CAS 94386-44-4), compiled from public chemistry databases.
| CAS 号 | 94386-44-4 |
|---|---|
| PubChem CID | 216419 |
| 分子式 | C18H15ClN2OS3 |
| IUPAC 名称 | 5-[2-chloro-4-(3-methyl-1,3-benzothiazol-2-ylidene)but-2-enylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one |
| UNII（FDA） | NS00066128 |
| Molecular Weight | 407.0 |
|---|---|
| XLogP3 | 5.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 406.0035043 |
| Monoisotopic Mass | 406.0035043 |
| Topological Polar Surface Area | 106 |
| Heavy Atom Count | 25 |
94386-44-4; RefChem:299405; GGZCNFWOKAWLEU-UHFFFAOYSA-N; DTXSID301107456; NS00066128
3-烯丙基-5-[2-氯-4-(3-甲基苯并噻唑-2(3H)-亚基)丁-2-亚基]-2-硫代噻唑烷-4-酮 · CAS 94386-44-4 · C18H15ClN2OS3. UNII NS00066128.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.