4-Thiazolidinone, 5-(phenylmethylene)-3-((phenylmethylene)amino)-2-thioxo-
Basic information
- CAS
4992-30-7- Standard SMILES
O=C1/C(=C/c2ccccc2)SC(=S)N1/N=C/c1ccccc1- InChIKey
RWXSCGUFLZZHQD-UHFFFAOYSA-N- Molecular formula
- C17H12N2OS2
- Average molar mass
- 324.4 g/mol
- Monoisotopic mass
- 324.03910536
Names & identifiers
- Preferred name
- 4-Thiazolidinone, 5-(phenylmethylene)-3-((phenylmethylene)amino)-2-thioxo-
- IUPAC
- (5Z)-5-benzylidene-3-[(E)-benzylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
- English name
- 5-Benzylidene-3-[(benzylidene)amino]-2-thioxo-4-thiazolidinone
- Molecular formula
- C17H12N2OS2
- Molecular weight
- 324.42
Names & synonyms
4992-30-74-Thiazolidinone, 5-(phenylmethylene)-3-((phenylmethylene)amino)-2-thioxo-RefChem:10717165-Benzylidene-3-[(benzylidene)amino]-2-thioxo-4-thiazolidinone(5Z)-5-benzylidene-3-{[(E)-phenylmethylidene]amino}-2-thioxo-1,3-thiazolidin-4-oneBRN 02577575-Benzylidene-3-benzylideneaminorhodanine4-Thiazolidinone, 5-benzylidene-3-(benzylideneamino)-2-thioxo-5-(Phenylmethylene)-3-((phenylmethylene)amino)-2-thioxo-4-thiazolidinone4-27-00-03383 (Beilstein Handbook Reference)STK039820AKOS001020782
Show more names
5-Benzylidene-3-[(benzylidene)amino]rhodamine4-Thiazolidinone, 5-(phenylmethylene)-3-[(phenylmethylene)amino]-2-thioxo-(5Z)-5-benzylidene-3-[(E)-benzylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
BIM-0008181.P001ST500548003-((1E)-2-phenyl-1-azavinyl)-5-(phenylmethylene)-2-thioxo-1,3-thiazolidin-4-on e
Database identifiers
- CAS
4992-30-7- PubChem CID
- 5337705
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 90.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 489
Physicochemical properties
- Melting point
- 170 · 170-171 °C
- Boiling point
- 482.6 · 482.6±48.0 °C(Predicted)
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- pka
- -3.24 · -3.24±0.20(Predicted)
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Compound notes
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