1-[2-cyano-4-(3,5-dimethyl-1,3,4-oxadiazol-2(3H)-ylidene)-1-thioxobut-2-enyl]pyrrolidine (CAS 72361-42-3) — formula C13H16N4OS, molecular weight 276.36; category organic chemicals.
| CAS Number | 72361-42-3 |
|---|---|
| Molecular Formula | C13H16N4OS |
| Molecular Weight | 276.36 |
| LogP | 1.8 |
| Category | Organic Chemicals |
1-[2-cyano-4-(3,5-dimethyl-1,3,4-oxadiazol-2(3H)-ylidene)-1-thioxobut-2-enyl]pyrrolidine is a carbon-based organic compound with CAS registry number 72361-42-3 and molecular formula C13H16N4OS (molecular weight 276.36), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 72361-42-3
Its molecular formula C13H16N4OS comprises 13 C, 16 H, 4 N, 1 O, 1 S atoms.
Also known as: 1-[2-cyano-4-(3,5-dimethyl-1,3,4-oxadiazol-2(3H)-ylidene)-1-thioxobut-2-enyl]pyrrolidine · 1-[2-氰基-4-(3,5-二甲基-1,3,4-恶二唑-2(3H)-亚基)-1-硫代丁-2-烯基]吡咯烷
Category: organic chemicals
The CAS registry number of 1-[2-cyano-4-(3,5-dimethyl-1,3,4-oxadiazol-2(3H)-ylidene)-1-thioxobut-2-enyl]pyrrolidine is 72361-42-3.
Molecular formula C13H16N4OS, molecular weight 276.36.
It is also registered under: 1-[2-cyano-4-(3,5-dimethyl-1,3,4-oxadiazol-2(3H)-ylidene)-1-thioxobut-2-enyl]pyrrolidine, 1-[2-氰基-4-(3,5-二甲基-1,3,4-恶二唑-2(3H)-亚基)-1-硫代丁-2-烯基]吡咯烷.
Category: Organic Chemicals.
Independent reference data for 1-[2-cyano-4-(3,5-dimethyl-1,3,4-oxadiazol-2(3H)-ylidene)-1-thioxobut-2-enyl]pyrrolidine (CAS 72361-42-3), compiled from public chemistry databases.
| CAS 号 | 72361-42-3 |
|---|---|
| PubChem CID | 175040 |
| 分子式 | C13H16N4OS |
| IUPAC 名称 | 4-(3,5-dimethyl-1,3,4-oxadiazol-2-ylidene)-2-(pyrrolidine-1-carbothioyl)but-2-enenitrile |
| UNII（FDA） | NS00037364 |
| Molecular Weight | 276.36 |
|---|---|
| XLogP3 | 1.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 276.10448232 |
| Monoisotopic Mass | 276.10448232 |
| Topological Polar Surface Area | 84 |
| Heavy Atom Count | 19 |
1-[2-氰基-4-(3,5-二甲基-1,3,4-恶二唑-2(3H)-亚基)-1-硫代丁-2-烯基]吡咯烷 · CAS 72361-42-3 · C13H16N4OS. UNII NS00037364.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.