3-[3-(2-cyanoethyl)-2-sulfanylidene-imidazolidin-1-yl]propanenitrile (CAS 5005-04-9) — formula C9H12N4S, molecular weight 208.29; category organic chemicals.
| CAS Number | 5005-04-9 |
|---|---|
| Molecular Formula | C9H12N4S |
| Molecular Weight | 208.29 |
| LogP | -0.2 |
| Category | Organic Chemicals |
3-[3-(2-cyanoethyl)-2-sulfanylidene-imidazolidin-1-yl]propanenitrile is a carbon-based organic compound with CAS registry number 5005-04-9 and molecular formula C9H12N4S (molecular weight 208.29), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 5005-04-9
Its molecular formula C9H12N4S comprises 9 C, 12 H, 4 N, 1 S atoms.
Also known as: 3-[3-(2-cyanoethyl)-2-sulfanylidene-imidazolidin-1-yl]propanenitrile · 3-[3-(2-氰乙基)-2-亚硫基-咪唑啉-1-基]丙腈
Category: organic chemicals
The CAS registry number of 3-[3-(2-cyanoethyl)-2-sulfanylidene-imidazolidin-1-yl]propanenitrile is 5005-04-9.
Molecular formula C9H12N4S, molecular weight 208.29.
It is also registered under: 3-[3-(2-cyanoethyl)-2-sulfanylidene-imidazolidin-1-yl]propanenitrile, 3-[3-(2-氰乙基)-2-亚硫基-咪唑啉-1-基]丙腈.
Category: Organic Chemicals.
Independent reference data for 3-[3-(2-cyanoethyl)-2-sulfanylidene-imidazolidin-1-yl]propanenitrile (CAS 5005-04-9), compiled from public chemistry databases.
| CAS 号 | 5005-04-9 |
|---|---|
| PubChem CID | 230258 |
| 分子式 | C9H12N4S |
| IUPAC 名称 | 3-[3-(2-cyanoethyl)-2-sulfanylideneimidazolidin-1-yl]propanenitrile |
| UNII（FDA） | HMS3093H11 |
| Molecular Weight | 208.29 |
|---|---|
| XLogP3 | -0.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 208.07826757 |
| Monoisotopic Mass | 208.07826757 |
| Topological Polar Surface Area | 86.2 |
| Heavy Atom Count | 14 |
NSC24909; MLS002639019; 5005-04-9; 3,3'-(2-thioxoimidazolidine-1,3-diyl)dipropanenitrile; 1,3-imidazolidinedipropanenitrile, 2-thioxo-; CHEMBL1893984; DTXSID10282198; HMS3093H11; NSC-24909; STK837116; AKOS001661956; SMR001548475; EU-0078934; SR-01000497571; SR-01000497571-1; 3-[3-(2-cyanoethyl)-2-thioxoimidazolidinyl]propanenitrile
3-[3-(2-氰乙基)-2-亚硫基-咪唑啉-1-基]丙腈 · CAS 5005-04-9 · C9H12N4S. UNII HMS3093H11.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.