2-(7,8-Dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-4-methyl-6-nitrophenol
2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-4-methyl-6-nitrophenol
Also Known As: ChemDiv1_021392|HMS647M08|BAS 01181125|SR-01000428015-1|2-(7,8-Dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-4-methyl-6-nitrophenol|A2136/0089695|Phenol, 4-methyl-2-(7,8-dimethylbenzo[e]dithiepan-2-yl)-6-nitro-|2-(7,8-Dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-4-methyl-6-nitrophenol #|2-(7,8-dimethyl-1,5-dihydrobenzo[e][1,3]dithiepin-3-yl)-4-methyl-6-nitrophenol|2-(7,8-DIMETHYL-3,5-DIHYDRO-1H-2,4-BENZODITHIEPIN-3-YL)-4-METHYL-6-NITROPHENOL
| Molecular Formula | C18H19NO3S2 |
|---|---|
| Molecular Weight | 361.08063 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 361.08063 |
| Monoisotopic Mass | 361.08063 |
| Heavy Atoms | 24 |
| Complexity | 438.0 |
Chemical Identifiers
| CAS Number | 309286-75-7 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)[N+](=O)[O-])O)C2SCC3=C(CS2)C=C(C(=C3)C)C |
| InChIKey | QPRUXZUWBOXDEZ-UHFFFAOYSA-N |
Product Overview
2-(7,8-Dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-4-methyl-6-nitrophenol (CAS 309286-75-7), with molecular formula C18H19NO3S2 and molecular weight 361.08063 g/mol. IUPAC: 2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-4-methyl-6-nitrophenol.