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Basic information
- CAS
918145-49-0- Standard SMILES
O=C1CSCCN1CCCc1ccc(Br)nc1- InChIKey
BLNDLVJKWIJCKZ-UHFFFAOYSA-N- Molecular formula
- C12H15BrN2OS
- Average molar mass
- 315.23 g/mol
- Monoisotopic mass
- 314.0088462
Names & identifiers
- Preferred name
- 4-[3-(6-Bromopyridin-3-yl)propyl]thiomorpholin-3-one
- IUPAC
- 4-[3-(6-bromo-3-pyridinyl)propyl]thiomorpholin-3-one
Names & synonyms
4-[3-(6-Bromopyridin-3-yl)propyl]thiomorpholin-3-one918145-49-04-(3-(6-Bromopyridin-3-yl)propyl)thiomorpholin-3-oneSCHEMBL4590782DTXSID60846507BLNDLVJKWIJCKZ-UHFFFAOYSA-N
Database identifiers
- CAS
918145-49-0- PubChem CID
- 71427770
- DTXSID
DTXSID60846507
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 58.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 265
Related reactions
2 records
Compound notes
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