Basic information
- Standard SMILES
NC1=CC(c2ccccc2)=CSC1- InChIKey
JPQXTSPLOSVTAE-UHFFFAOYSA-N- Molecular formula
- C11H11NS
- Average molar mass
- 189.28 g/mol
Names & identifiers
- Preferred name
- 3-Amino-5-phenylthiopyran
- IUPAC
- 5-phenyl-2H-thiopyran-3-amine
Names & synonyms
3-Amino-5-phenylthiopyranSCHEMBL5884165JPQXTSPLOSVTAE-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 69596334
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 51.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 236
Related reactions
4 records
Compound notes
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