Basic information
- CAS
30670-17-8- Standard SMILES
CN(C)C(=S)SCCC(=O)c1ccccc1- InChIKey
IYKYIBVRBHXXFY-UHFFFAOYSA-N- Molecular formula
- C12H15NOS2
- Average molar mass
- 253.4 g/mol
- Monoisotopic mass
- 253.05950645
Names & identifiers
- Preferred name
- Carbamodithioic acid, dimethyl-, 3-oxo-3-phenylpropyl ester
- IUPAC
- (3-oxo-3-phenylpropyl) N,N-dimethylcarbamodithioate
- English name
- Dimethyldithiocarbamic acid 3-oxo-3-phenylpropyl ester
- Molecular formula
- C12H15NOS2
- Molecular weight
- 253.38
Names & synonyms
30670-17-8BRN 2215771CARBAMODITHIOIC ACID, DIMETHYL-, 3-OXO-3-PHENYLPROPYL ESTERDimethylcarbamodithioic acid 3-oxo-3-phenylpropyl esterDTXSID50184708N,N-Dimethyldithiocarbamidsaeure-(3-oxo-3-phenylpropyl)-ester [German]N,N-Dimethyldithiocarbamidsaeure-(3-oxo-3-phenylpropyl)-esterRefChem:332851DTXCID50107199Dimethyldithiocarbamic acid 3-oxo-3-phenylpropyl esterSCHEMBL116117773-Oxo-3-phenylpropyl dimethylcarbamodithioate
Show more names
Carbamodithioic acid, dimethyl-, 3-oxo-3-phenylpropyl ester (9CI)
Database identifiers
- CAS
30670-17-8- PubChem CID
- 35406
- DTXSID
DTXSID50184708- Nikkaji
- J67.118E
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 77.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 247
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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