Basic information
- CAS
138224-18-7- Standard SMILES
CCNC(=C[N+](=O)[O-])SCC- InChIKey
OMXCKNFOOAJBDP-UHFFFAOYSA-N- Molecular formula
- C6H12N2O2S
- Average molar mass
- 176.24 g/mol
- Monoisotopic mass
- 176.0619488
Names & identifiers
- Preferred name
- N-Ethyl-1-(ethylsulfanyl)-2-nitroethen-1-amine
- IUPAC
- N-ethyl-1-ethylsulfanyl-2-nitroethenamine
Names & synonyms
138224-18-7N-Ethyl-1-(ethylsulfanyl)-2-nitroethen-1-amineDTXSID20768817
Database identifiers
- CAS
138224-18-7- PubChem CID
- 71342001
- DTXSID
DTXSID20768817
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 83.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 153
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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