4-[(Z)-(2-(4-Isopropoxyphenyl)-6-oxo[1,3]thiazolo[3,2-B][1,2,4]triazol-5(6H)-ylidene)methyl]-2-methoxyphenyl acetate
Basic information
- CAS
618076-32-7- Standard SMILES
COc1cc(/C=c2\sc3nc(-c4ccc(OC(C)C)cc4)nn3c2=O)ccc1OC(C)=O- InChIKey
UUUGMUFTECVFLZ-NDENLUEZSA-N- Molecular formula
- C23H21N3O5S
- Average molar mass
- 451.5 g/mol
- Monoisotopic mass
- 451.12019195
Names & identifiers
- Preferred name
- 4-[(Z)-(2-(4-Isopropoxyphenyl)-6-oxo[1,3]thiazolo[3,2-B][1,2,4]triazol-5(6H)-ylidene)methyl]-2-methoxyphenyl acetate
- IUPAC
- [2-methoxy-4-[(Z)-[6-oxo-2-(4-propan-2-yloxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene]methyl]phenyl] acetate
- English name
- SALOR-INT L425362-1EA
- Molecular formula
- C23H21N3O5S
- Molecular weight
- 451.5
Names & synonyms
4-[(Z)-(2-(4-ISOPROPOXYPHENYL)-6-OXO[1,3]THIAZOLO[3,2-B][1,2,4]TRIAZOL-5(6H)-YLIDENE)METHYL]-2-METHOXYPHENYL ACETATE4-((Z)-(2-(4-ISOPROPOXYPHENYL)-6-OXO(1,3)THIAZOLO(3,2-B)(1,2,4)TRIAZOL-5(6H)-YLIDENE)METHYL)-2-METHOXYPHENYL ACETATERefChem:510007618076-32-7645-417-4STK814066AKOS0021939992-methoxy-4-[(Z)-{6-oxo-2-[4-(propan-2-yloxy)phenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene}methyl]phenyl acetateSALOR-INT L425362-1EAThiazolo[3,2-b][1,2,4]triazol-6(5H)-one, 5-[[4-(acetyloxy)-3-methoxyphenyl]methylene]-2-[4-(1-methylethoxy)phenyl]-
Database identifiers
- CAS
618076-32-7- PubChem CID
- 5931291
- EC Number
- 645-417-4
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 724
Physicochemical properties
- Boiling point
- 625.717 · 625.717±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.353 · 1.353±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -0.111 · -0.111±0.20(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, 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 39 reports by companies from 2 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
- H319-H335-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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