Basic information
- CAS
93857-88-6- Standard SMILES
CC(/C=C1/CCCN1C)=C1\SC(=S)N(C)C1=O- InChIKey
IYSUEATZWRPJFI-FKJILZIQSA-N- Molecular formula
- C12H16N2OS2
- Average molar mass
- 268.4 g/mol
- Monoisotopic mass
- 268.07040549
Names & identifiers
- Preferred name
- 3-Methyl-5-(1-methyl-2-(1-methylpyrrolidin-2-ylidene)ethylidene)rhodanine
- IUPAC
- (5E)-3-methyl-5-[(1Z)-1-(1-methylpyrrolidin-2-ylidene)propan-2-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Names & synonyms
EINECS 299-222-093857-88-63-Methyl-5-(1-methyl-2-(1-methylpyrrolidin-2-ylidene)ethylidene)rhodanine
Database identifiers
- CAS
93857-88-6- PubChem CID
- 6366267
- EC Number
- 299-222-0
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 440
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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