2-Methoxy-5-(methylsulfanyl)-3-(2-nitroprop-1-en-1-yl)thiophene
Basic information
- CAS
71908-81-1- Standard SMILES
COc1sc(SC)cc1C=C(C)[N+](=O)[O-]- InChIKey
HYLPFANJDMLVKS-UHFFFAOYSA-N- Molecular formula
- C9H11NO3S2
- Average molar mass
- 245.3 g/mol
- Monoisotopic mass
- 245.01803556
Names & identifiers
- Preferred name
- 2-Methoxy-5-(methylsulfanyl)-3-(2-nitroprop-1-en-1-yl)thiophene
- IUPAC
- 2-methoxy-5-methylsulfanyl-3-(2-nitroprop-1-enyl)thiophene
Names & synonyms
71908-81-1DTXSID308232292-Methoxy-5-(methylsulfanyl)-3-(2-nitroprop-1-en-1-yl)thiophene
Database identifiers
- CAS
71908-81-1- PubChem CID
- 71402243
- DTXSID
DTXSID30823229
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 265
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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