ChemDiv3_004998
[4-(4-bromophenyl)sulfanyl-3,5-dimethylpyrazol-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
Also Known As: ChemDiv3_004998|IDI1_022908|SR-01000443941-1|F0755-0173|(4-((4-bromophenyl)thio)-3,5-dimethyl-1H-pyrazol-1-yl)(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)methanone|[4-(4-bromophenyl)sulfanyl-3,5-dimethylpyrazol-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone|4-[(4-BROMOPHENYL)SULFANYL]-3,5-DIMETHYL-1-(4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-2-CARBONYL)-1H-PYRAZOLE|4-BROMOPHENYL 3,5-DIMETHYL-1-(4,5,6,7-TETRAHYDRO-1-BENZOTHIEN-2-YLCARBONYL)-1H-PYRAZOL-4-YL SULFIDE
| Molecular Formula | C20H19BrN2OS2 |
|---|---|
| Molecular Weight | 446.0122 g/mol |
| LogP | 6.04244 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 446.0122 |
| Monoisotopic Mass | 446.0122 |
| Heavy Atoms | 26 |
| Complexity | 949.1103 |
Chemical Identifiers
| CAS Number | 394237-26-4 |
|---|---|
| SMILES | CC1=C(C(=NN1C(=O)C2=CC3=C(S2)CCCC3)C)SC4=CC=C(C=C4)Br |
Product Overview
ChemDiv3_004998 (CAS 394237-26-4), with molecular formula C20H19BrN2OS2 and molecular weight 446.0122 g/mol. IUPAC: [4-(4-bromophenyl)sulfanyl-3,5-dimethylpyrazol-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone.