Basic information
- CAS
304901-49-3- Standard SMILES
N#CC(Sc1ccccc1)=C1SCCN1c1ccccc1- InChIKey
HIOADUPRHXVOFG-UHFFFAOYSA-N- Molecular formula
- C17H14N2S2
- Average molar mass
- 310.4 g/mol
- Monoisotopic mass
- 310.05984045
Names & identifiers
- Preferred name
- 2-Phenylthio-2-(3-phenyl-1,3-thiazolidine-2-yliden)acetonitrile
- IUPAC
- 2-phenylsulfanyl-2-(3-phenyl-1,3-thiazolidin-2-ylidene)acetonitrile
Names & synonyms
SCHEMBL3834170HIOADUPRHXVOFG-UHFFFAOYSA-NDTXSID0011843062-Phenylthio-2-(3-phenyl-1,3-thiazolidine-2-yliden)acetonitrile304901-49-32-(3-Phenyl-2-thiazolidinylidene)-2-(phenylthio)acetonitrile(Phenylsulfanyl)(3-phenyl-1,3-thiazolidin-2-ylidene)acetonitrile
Database identifiers
- CAS
304901-49-3- PubChem CID
- 4079757
- DTXSID
DTXSID001184306
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 77.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 425
Related reactions
1 records
Compound notes
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