o-Ethyl s-[2-(3-nitrophenyl)-2-oxoethyl] carbonodithioate
Basic information
- CAS
73709-51-0- Standard SMILES
CCOC(=S)SCC(=O)c1cccc([N+](=O)[O-])c1- InChIKey
MCEGWXOTZDFRKD-UHFFFAOYSA-N- Molecular formula
- C11H11NO4S2
- Average molar mass
- 285.3 g/mol
- Monoisotopic mass
- 285.01295018
Names & identifiers
- Preferred name
- o-Ethyl s-[2-(3-nitrophenyl)-2-oxoethyl] carbonodithioate
- IUPAC
- O-ethyl [2-(3-nitrophenyl)-2-oxoethyl]sulfanylmethanethioate
Names & synonyms
73709-51-0o-ethyl s-[2-(3-nitrophenyl)-2-oxoethyl] carbonodithioateNSC107826DTXSID40994570NSC-107826DS-0132222-ethoxycarbothioylsulfanyl-1-(3-nitrophenyl)ethanone
Database identifiers
- CAS
73709-51-0- PubChem CID
- 267948
- DTXSID
DTXSID40994570
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 329
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…