Basic information
- CAS
63612-52-2- Standard SMILES
S=C(CCc1ccc(Br)cc1)N1CCOCC1- InChIKey
JJFIZZMPXLVBAB-UHFFFAOYSA-N- Molecular formula
- C13H16BrNOS
- Average molar mass
- 314.24 g/mol
- Monoisotopic mass
- 313.0136
Names & identifiers
- Preferred name
- 3-(4-Bromophenyl)-1-(4-morpholinyl)-1-propanethione
- IUPAC
- 3-(4-bromophenyl)-1-morpholin-4-ylpropane-1-thione
Names & synonyms
63612-52-23-(4-Bromophenyl)-1-(4-morpholinyl)-1-propanethioneDTXSID3012246223-(4-Bromophenyl)-1-(morpholin-4-yl)propane-1-thione
Database identifiers
- CAS
63612-52-2- PubChem CID
- 12376772
- DTXSID
DTXSID301224622
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 44.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 248
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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