Basic information
- CAS
307953-07-7- Standard SMILES
CCCCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2c(C)cc(C)cc2C)SC1=S- InChIKey
RAWKWRKWWVIIIC-XQNSMLJCSA-N- Molecular formula
- C27H29N3OS2
- Average molar mass
- 475.7 g/mol
- Monoisotopic mass
- 475.1752049
Names & identifiers
- Preferred name
- (5E)-5-[(3-Mesityl-1-phenyl-1H-pyrazol-4-YL)methylene]-3-pentyl-2-thioxo-1,3-thiazolidin-4-one
- IUPAC
- (5E)-3-pentyl-5-[[1-phenyl-3-(2,4,6-trimethylphenyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Names & synonyms
307953-07-7(5E)-5-[(3-mesityl-1-phenyl-1H-pyrazol-4-yl)methylene]-3-pentyl-2-thioxo-1,3-thiazolidin-4-one(5E)-5-((3-MESITYL-1-PHENYL-1H-PYRAZOL-4-YL)METHYLENE)-3-PENTYL-2-THIOXO-1,3-THIAZOLIDIN-4-ONERefChem:404286652-786-55-((3-Mesityl-1-phenyl-1H-pyrazol-4-yl)methylene)-3-pentyl-2-thioxothiazolidin-4-oneAKOS001036468Z56803545
Database identifiers
- CAS
307953-07-7- PubChem CID
- 2129798
- EC Number
- 652-786-5
Properties
Computed structural properties
- XLogP
- 7.5
- Topological polar surface area
- 95.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 723
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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