(RS)-S-[3-(bromomethyl)phenyl]-N-(ethoxycarbonyl)-S-ethylsulphoximide
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Basic information
- Standard SMILES
CCOC(=O)N=S(=O)(CC)c1cccc(CBr)c1- InChIKey
JILMFJVKYQLYTQ-UHFFFAOYSA-N- Molecular formula
- C12H16BrNO3S
- Average molar mass
- 334.23 g/mol
- Monoisotopic mass
- 333.00343
Names & identifiers
- Preferred name
- (RS)-S-[3-(bromomethyl)phenyl]-N-(ethoxycarbonyl)-S-ethylsulphoximide
- IUPAC
- ethyl N-[[3-(bromomethyl)phenyl]-ethyl-oxo-lambda6-sulfanylidene]carbamate
Names & synonyms
SCHEMBL1706644JILMFJVKYQLYTQ-UHFFFAOYSA-N(RS)-S-[3-(bromomethyl)phenyl]-N-(ethoxycarbonyl)-S-ethylsulphoximide
Database identifiers
- PubChem CID
- 57787996
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 64.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 391
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Related reactions
2 records
Compound notes
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