Basic information
- CAS
307953-05-5- Standard SMILES
CCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccs2)SC1=S- InChIKey
JSQIQVYGKQHRDE-HKWRFOASSA-N- Molecular formula
- C23H23N3OS3
- Average molar mass
- 453.6 g/mol
- Monoisotopic mass
- 453.10032589
Names & identifiers
- Preferred name
- (5E)-3-Hexyl-5-{[1-phenyl-3-(2-thienyl)-1H-pyrazol-4-YL]methylene}-2-thioxo-1,3-thiazolidin-4-one
- IUPAC
- (5Z)-3-hexyl-5-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
- English name
- (5Z)-3-hexyl-5-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
- Molecular formula
- C23H23N3OS3
- Molecular weight
- 453.65
Names & synonyms
307953-05-5(5E)-3-hexyl-5-{[1-phenyl-3-(2-thienyl)-1H-pyrazol-4-yl]methylene}-2-thioxo-1,3-thiazolidin-4-oneRefChem:404277(5E)-3-HEXYL-5-((1-PHENYL-3-(2-THIENYL)-1H-PYRAZOL-4-YL)METHYLENE)-2-THIOXO-1,3-THIAZOLIDIN-4-ONE652-745-13-Hexyl-5-((1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-oneSTK808705AKOS002161318Z56818723(5Z)-3-hexyl-5-{[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one4-Thiazolidinone, 3-hexyl-5-[[1-phenyl-3-(2-thienyl)-1H-pyrazol-4-yl]methylene]-2-thioxo-(5Z)-3-hexyl-5-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Database identifiers
- CAS
307953-05-5- PubChem CID
- 2129795
- EC Number
- 652-745-1
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 650
Physicochemical properties
- Boiling point
- 609.8 · 609.8±65.0 °C(Predicted)
- Density
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- pka
- -2.52 · -2.52±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 413 · H413-H335-H315-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H413-H335-H315-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
OTAVA-BB[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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