3,4,5-Trimethoxy-N(2,2,2-tri-CL-1-(4,5-dihydro-1,3-thiazol-2-ylthio)ET)benzamide
Basic information
- CAS
303061-95-2- Standard SMILES
COc1cc(C(=O)NC(SC2=NCCS2)C(Cl)(Cl)Cl)cc(OC)c1OC- InChIKey
GARUZHOZSQBLCS-UHFFFAOYSA-N- Molecular formula
- C15H17Cl3N2O4S2
- Average molar mass
- 459.8 g/mol
- Monoisotopic mass
- 457.969532
Names & identifiers
- Preferred name
- 3,4,5-Trimethoxy-N(2,2,2-tri-CL-1-(4,5-dihydro-1,3-thiazol-2-ylthio)ET)benzamide
- IUPAC
- 3,4,5-trimethoxy-N-[2,2,2-trichloro-1-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethyl]benzamide
- English name
- 3,4,5-trimethoxy-N-[2,2,2-trichloro-1-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethyl]benzamide
- Molecular formula
- C15H17Cl3N2O4S2
- Molecular weight
- 459.79548
Names & synonyms
3,4,5-TRIMETHOXY-N(2,2,2-TRI-CL-1-(4,5-DIHYDRO-1,3-THIAZOL-2-YLTHIO)ET)BENZAMIDERefChem:485731303061-95-2662-147-2TCMDC-124590CHEMBL586185AKOS0026867223,4,5-trimethoxy-N-[2,2,2-trichloro-1-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethyl]benzamide
Database identifiers
- CAS
303061-95-2- PubChem CID
- 3436697
- ChEMBL
CHEMBL586185- EC Number
- 662-147-2
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 508
Physicochemical properties
- 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 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
- 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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