Phenetole, beta-(ethylthio)-p-nitro-
Basic information
- CAS
19594-18-4- Standard SMILES
CCSCCOc1ccc([N+](=O)[O-])cc1- InChIKey
QMZNCBRRQAZBJE-UHFFFAOYSA-N- Molecular formula
- C10H13NO3S
- Average molar mass
- 227.28 g/mol
- Monoisotopic mass
- 227.06161445
Names & identifiers
- Preferred name
- Phenetole, beta-(ethylthio)-p-nitro-
- IUPAC
- 1-(2-ethylsulfanylethoxy)-4-nitrobenzene
Names & synonyms
SynerphosPhenetole, beta-(ethylthio)-p-nitro-BRN 297106819594-18-4Benzene, 1-(2-(ethylthio)ethoxy)-4-nitro-DTXSID10173254RefChem:368839DTXCID10957451-[2-(ethylsulfanyl)ethoxy]-4-nitrobenzene
Database identifiers
- CAS
19594-18-4- PubChem CID
- 209256
- DTXSID
DTXSID10173254
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 80.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 188
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Compound notes
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