Basic information
- CAS
36266-70-3- Standard SMILES
COc1ccc(-c2c(-c3ccccc3)sc3ccc([N+](=O)[O-])cc23)cc1- InChIKey
VKUYFWWGGQCZBO-UHFFFAOYSA-N- Molecular formula
- C21H15NO3S
- Average molar mass
- 361.4 g/mol
- Monoisotopic mass
- 361.07726451
Names & identifiers
- Preferred name
- BENZO(b)THIOPHENE, 3-(p-METHOXYPHENYL)-5-NITRO-2-PHENYL-
- IUPAC
- 3-(4-methoxyphenyl)-5-nitro-2-phenyl-1-benzothiophene
- English name
- 3-(p-Methoxyphenyl)-5-nitro-2-phenylbenzo[b]thiophene
- Molecular weight
- 0
Names & synonyms
36266-70-3BENZO(b)THIOPHENE, 3-(p-METHOXYPHENYL)-5-NITRO-2-PHENYL-3-(4-methoxyphenyl)-5-nitro-2-phenyl-1-benzothiopheneXR2ZX8GHG73-(p-Methoxyphenyl)-5-nitro-2-phenylbenzo(b)thiopheneBRN 1398894UNII-XR2ZX8GHG75-17-04-00700 (Beilstein Handbook Reference)DTXSID201898063-(4-Methoxyphenyl)-5-nitro-2-phenylbenzo[b]thiopheneBenzo[b]thiophene, 3-(4-methoxyphenyl)-5-nitro-2-phenyl-3-(p-Methoxyphenyl)-5-nitro-2-phenylbenzo[b]thiophene
Database identifiers
- CAS
36266-70-3- PubChem CID
- 37409
- DTXSID
DTXSID20189806- UNII
- XR2ZX8GHG7
- Nikkaji
- J65.930D
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 83.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 482
Physicochemical properties
- FDA UNII
- 2 ZX8GHG7 · XR2ZX8GHG7
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…