N-phenyl-1,3,5-trithiane-2-carboxamide
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Basic information
- CAS
691375-42-5- Standard SMILES
O=C(Nc1ccccc1)C1SCSCS1- InChIKey
QXSUNOKNKNVGEM-UHFFFAOYSA-N- Molecular formula
- C10H11NOS3
- Average molar mass
- 257.4 g/mol
- Monoisotopic mass
- 257.0002775
Names & identifiers
- Preferred name
- N-phenyl-1,3,5-trithiane-2-carboxamide
- IUPAC
- N-phenyl-1,3,5-trithiane-2-carboxamide
- English name
- 1,3,5-Trithiane-2-carboxamide,N-phenyl-(9CI)
- Molecular formula
- C10H11NOS3
- Molecular weight
- 257.39544
Names & synonyms
AKOS0023885191,3,5-Trithiane-2-carboxamide,N-phenyl-(9CI)
Database identifiers
- CAS
691375-42-5- PubChem CID
- 716576
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 213
Related reactions
0 records
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Compound notes
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