(5Z)-5-(4-methylbenzylidene)-3-(tetrahydrofuran-2-ylmethyl)-2-thioxo-1,3-thiazolidin-4-one
Basic information
- CAS
324070-80-6- Standard SMILES
Cc1ccc(/C=C2\SC(=S)N(CC3CCCO3)C2=O)cc1- InChIKey
BZSZTZKQUOLFPJ-ZROIWOOFSA-N- Molecular formula
- C16H17NO2S2
- Average molar mass
- 319.4 g/mol
- Monoisotopic mass
- 319.07007113
Names & identifiers
- Preferred name
- (5Z)-5-(4-methylbenzylidene)-3-(tetrahydrofuran-2-ylmethyl)-2-thioxo-1,3-thiazolidin-4-one
- IUPAC
- (5Z)-5-[(4-methylphenyl)methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Names & synonyms
(5Z)-5-(4-methylbenzylidene)-3-(tetrahydrofuran-2-ylmethyl)-2-thioxo-1,3-thiazolidin-4-one324070-80-6(Z)-5-(4-methylbenzylidene)-3-((tetrahydrofuran-2-yl)methyl)-2-thioxothiazolidin-4-oneSTK861505AKOS000350729AKOS016332430
Database identifiers
- CAS
324070-80-6- PubChem CID
- 6284045
- EC Number
- 165-011-6
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 86.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 455
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
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Related reactions
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Compound notes
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