AC1LAO9U
2-(2-benzyl-6-chloro-1,1,3-trioxothieno[3,2-e][1,2,4]thiadiazin-4-yl)acetonitrile
Also Known As: KST-1A2740|(2-benzyl-6-chloro-1,1-dioxido-3-oxo-2,3-dihydro-4h-thieno[3,2-e][1,2,4]thiadiazin-4-yl)acetonitrile|4H-Thieno(3,2-e)-1,2,4-thiadiazine-4-acetonitrile, 6-chloro-2,3-dihydro-3-oxo-2-(phenylmethyl)-, 1,1-dioxide|1,1,3-Trioxo-2H,4H-thieno[3,4-e][1,2,4]thiadiazine der.|2-(6-Chloro-1,1,3-trioxo-2-benzylthiopheno(3,2-e)1,2,4-thiadiazin-4-yl)ethanenitrile|2-(2-benzyl-6-chloro-1,1,3-trioxo-thieno[3,2-e][1,2,4]thiadiazin-4-yl)acetonitrile|2-(2-benzyl-6-chloro-1,1,3-trioxothieno[3,2-e][1,2,4]thiadiazin-4-yl)acetonitrile|2-[6-Chloro-1,1,3-trioxo-2-benzylthiopheno[3,2-e]1,2,4-thiadiazin-4-yl]ethanenitrile|(2-Benzyl-6-chloro-1,1,3-trioxo-2,3-dihydro-1lambda~6~-thieno[3,2-e][1,2,4]thiadiazin-4(1H)-yl)acetonitrile|4H-Thieno[3,2-e]-1,2,4-thiadiazine-4-acetonitrile, 6-chloro-2,3-dihydro-3-oxo-2-(phenylmethyl)-, 1,1-dioxide
| Molecular Formula | C14H10ClN3O3S2 |
|---|---|
| Molecular Weight | 366.9852 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 366.9852 |
| Monoisotopic Mass | 366.9852 |
| Heavy Atoms | 23 |
| Complexity | 621.0 |
Chemical Identifiers
| CAS Number | 21602-40-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=O)N(C3=C(S2(=O)=O)SC(=C3)Cl)CC#N |
| InChIKey | ADKMDGCSIOZQIC-UHFFFAOYSA-N |
Product Overview
AC1LAO9U (CAS 21602-40-4), with molecular formula C14H10ClN3O3S2 and molecular weight 366.9852 g/mol. IUPAC: 2-(2-benzyl-6-chloro-1,1,3-trioxothieno[3,2-e][1,2,4]thiadiazin-4-yl)acetonitrile.