Basic information
- CAS
102732-64-9- Standard SMILES
CCN(CC)C(=S)SC(=CC(=O)c1cccs1)c1ccccc1- InChIKey
UHKPNOIVGJGYRC-UHFFFAOYSA-N- Molecular formula
- C18H19NOS3
- Average molar mass
- 361.6 g/mol
- Monoisotopic mass
- 361.06287775
Names & identifiers
- Preferred name
- 3-Oxo-1-phenyl-3-(thiophen-2-yl)prop-1-en-1-yl diethylcarbamodithioate
- IUPAC
- (3-oxo-1-phenyl-3-thiophen-2-ylprop-1-enyl) N,N-diethylcarbamodithioate
Names & synonyms
DTXSID2011388303-Oxo-1-phenyl-3-(thiophen-2-yl)prop-1-en-1-yl diethylcarbamodithioate
Database identifiers
- CAS
102732-64-9- PubChem CID
- 59700
- DTXSID
DTXSID201138830
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 440
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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