Basic information
- CAS
61998-04-7- Standard SMILES
CCN(CC)C(=S)SCC(=O)c1ccccc1- InChIKey
XIBBFKWJHMAUNO-UHFFFAOYSA-N- Molecular formula
- C13H17NOS2
- Average molar mass
- 267.4 g/mol
- Monoisotopic mass
- 267.07515651
Names & identifiers
- Preferred name
- Diethyl-dithiocarbamic acid 2-oxo-2-phenyl-ethyl ester
- IUPAC
- phenacyl N,N-diethylcarbamodithioate
Names & synonyms
Diethyl-dithiocarbamic acid 2-oxo-2-phenyl-ethyl ester61998-04-7DTXSID40389700RefChem:338113DTXCID70340561phenacyl N,N-diethylcarbamodithioateMLS000563247CHEMBL1425271SCHEMBL11611339HMS2405E21AKOS000568540SMR000177347
Show more names
2-oxo-2-phenylethyl diethylcarbamodithioateST45008171ST50434795BRD-K23155881-001-07-92-[(diethylamino)thioxomethylthio]-1-phenylethan-1-one
Database identifiers
- CAS
61998-04-7- PubChem CID
- 3137828
- DTXSID
DTXSID40389700- ChEMBL
CHEMBL1425271- Nikkaji
- J1.022.597C
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 77.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 258
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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