3-Oxo-2-phenylbutyl dimethylcarbamodithioate
Basic information
- CAS
32465-67-1- Standard SMILES
CC(=O)C(CSC(=S)N(C)C)c1ccccc1- InChIKey
VOSKYFMOECEZHZ-UHFFFAOYSA-N- Molecular formula
- C13H17NOS2
- Average molar mass
- 267.4 g/mol
- Monoisotopic mass
- 267.07515651
Names & identifiers
- Preferred name
- 3-Oxo-2-phenylbutyl dimethylcarbamodithioate
- IUPAC
- (3-oxo-2-phenylbutyl) N,N-dimethylcarbamodithioate
Names & synonyms
3-Oxo-2-phenylbutyl dimethylcarbamodithioate32465-67-1DTXSID80954214RefChem:1068416DTXCID301382240BRN 2121882Carbamodithioic acid, dimethyl-, 3-oxo-2-phenylbutyl esterSCHEMBL11608899
Database identifiers
- CAS
32465-67-1- PubChem CID
- 208573
- DTXSID
DTXSID80954214
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
- 17
- Formal charge
- 0
- Complexity
- 273
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…