2,6-Dimethyl-4-((Z)-(3-oxo(1,3)thiazolo(3,2-A)benzimidazol-2(3H)-ylidene)methyl)phenyl acetate
Basic information
- CAS
617696-91-0- Standard SMILES
CC(=O)Oc1c(C)cc(/C=c2\sc3nc4ccccc4n3c2=O)cc1C- InChIKey
OWCYIPWHVMLBKK-YVLHZVERSA-N- Molecular formula
- C20H16N2O3S
- Average molar mass
- 364.4 g/mol
- Monoisotopic mass
- 364.08816355
Names & identifiers
- Preferred name
- 2,6-Dimethyl-4-((Z)-(3-oxo(1,3)thiazolo(3,2-A)benzimidazol-2(3H)-ylidene)methyl)phenyl acetate
- IUPAC
- [2,6-dimethyl-4-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenyl] acetate
- English name
- SALOR-INT L441341-1EA
- Molecular formula
- C20H16N2O3S
- Molecular weight
- 364.42
Names & synonyms
2,6-dimethyl-4-[(Z)-(3-oxo[1,3]thiazolo[3,2-a]benzimidazol-2(3H)-ylidene)methyl]phenyl acetate2,6-Dimethyl-4-((Z)-(3-oxo(1,3)thiazolo(3,2-A)benzimidazol-2(3H)-ylidene)methyl)phenyl acetateRefChem:445668617696-91-0644-428-1STK813402AKOS002193345SALOR-INT L441341-1EAThiazolo[3,2-a]benzimidazol-3(2H)-one, 2-[[4-(acetyloxy)-3,5-dimethylphenyl]methylene]-(Z)-2,6-dimethyl-4-((3-oxobenzo[4,5]imidazo[2,1-b]thiazol-2(3H)-ylidene)methyl)phenyl acetate
Database identifiers
- CAS
617696-91-0- PubChem CID
- 5897641
- EC Number
- 644-428-1
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 86.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 610
Physicochemical properties
- Boiling point
- 555.541 · 555.541±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.355 · 1.355±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 1.239 · 1.239±0.20(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
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)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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