Basic information
- CAS
64803-07-2- Standard SMILES
CC(C)N(C(=S)/N=C1/SCS(=O)(=O)N1Cc1ccccc1)C(C)C- InChIKey
XYCOCAFQTJBUEJ-WUKNDPDISA-N- Molecular formula
- C16H23N3O2S3
- Average molar mass
- 385.6 g/mol
- Monoisotopic mass
- 385.09524051
Names & identifiers
- Preferred name
- CID 6065622
- IUPAC
- (3E)-3-(2-benzyl-1,1-dioxo-1,4,2-dithiazolidin-3-ylidene)-1,1-di(propan-2-yl)thiourea
Names & synonyms
64803-07-2NSC297925NSC-297925
Database identifiers
- CAS
64803-07-2- PubChem CID
- 6065622
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 568
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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