Basic information
- CAS
91904-71-1- Standard SMILES
CCCCN1CCC/C1=C1/SC(=S)N(CC)C1=O- InChIKey
BJMYCYFLFIEAFO-KHPPLWFESA-N- Molecular formula
- C13H20N2OS2
- Average molar mass
- 284.4 g/mol
- Monoisotopic mass
- 284.10170561
Overview
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Names & identifiers
- Preferred name
- 5-(1-Butylpyrrolidin-2-ylidene)-3-ethyl-2-thioxothiazolidin-4-one
- IUPAC
- (5Z)-5-(1-butylpyrrolidin-2-ylidene)-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one
Names & synonyms
5-(1-Butylpyrrolidin-2-ylidene)-3-ethyl-2-thioxothiazolidin-4-oneEINECS 295-241-3BJMYCYFLFIEAFO-KHPPLWFESA-N
Database identifiers
- CAS
91904-71-1- PubChem CID
- 3045347
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 392
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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