Basic information
- CAS
23839-34-1- Standard SMILES
CN(C)C(=S)SCC(=O)c1ccccc1- InChIKey
XHVOYKMVESKNDP-UHFFFAOYSA-N- Molecular formula
- C11H13NOS2
- Average molar mass
- 239.4 g/mol
- Monoisotopic mass
- 239.04385604
Names & identifiers
- Preferred name
- 2-Oxo-2-phenylethyl dimethylcarbamodithioate
- IUPAC
- phenacyl N,N-dimethylcarbamodithioate
- English name
- N,N-dimethyl-1-phenacylsulfanyl-methanethioamide
- Molecular formula
- C11H13NOS2
- Molecular weight
- 239.36
Names & synonyms
23839-34-12-oxo-2-phenylethyl dimethylcarbamodithioateDTXSID90285561RefChem:264863DTXCID10236712phenacyl N,N-dimethylcarbamodithioatephenacyl dimethyldithiocarbamateNSC42300SCHEMBL11525933XHVOYKMVESKNDP-UHFFFAOYSA-NNSC-42300AKOS024383901
Show more names
N,N-dimethyl-1-phenacylsulfanyl-methanethioamideCarbamodithioic acid, dimethyl-, 2-oxo-2-phenylethyl ester (9CI)
ST510336362-[(dimethylamino)thioxomethylthio]-1-phenylethan-1-one
Database identifiers
- CAS
23839-34-1- PubChem CID
- 238111
- DTXSID
DTXSID90285561
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 77.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 235
Physicochemical properties
- Melting point
- 111 °C · 111 °C
- Boiling point
- 351.9 · 351.9±44.0 °C(Predicted)
- Density
- 1.216 · 1.216±0.06 g/cm3(Predicted)
- pka
- 0.82 · 0.82±0.50(Predicted)
Chemistry & industry
Suppliers2 total
HONEST JOY HOLDINGS LIMITED[email protected]
OuchiShinko Chemical Industrial Co., Ltd[email protected]
Related reactions
3 records
Compound notes
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