ME 4-((((4-Allyl-5-(2-thienyl)-4H-1,2,4-triazol-3-YL)thio)acetyl)amino)benzoate
Basic information
- CAS
573973-78-1- Standard SMILES
C=CCn1c(SCC(=O)Nc2ccc(C(=O)OC)cc2)nnc1-c1cccs1- InChIKey
PCRKRSIDPQYBKF-UHFFFAOYSA-N- Molecular formula
- C19H18N4O3S2
- Average molar mass
- 414.5 g/mol
- Monoisotopic mass
- 414.0820328
Names & identifiers
- Preferred name
- ME 4-((((4-Allyl-5-(2-thienyl)-4H-1,2,4-triazol-3-YL)thio)acetyl)amino)benzoate
- IUPAC
- methyl 4-[[2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate
- English name
- SALOR-INT L413933-1EA
- Molecular formula
- C19H18N4O3S2
- Molecular weight
- 414.5
Names & synonyms
573973-78-1ME 4-((((4-ALLYL-5-(2-THIENYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)ACETYL)AMINO)BENZOATERefChem:810751638-270-2Methyl 4-(2-((4-allyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoateSTL294146AKOS002188158ST50081463methyl 4-[2-(4-prop-2-enyl-5-(2-thienyl)-1,2,4-triazol-3-ylthio)acetylamino]be nzoatemethyl 4-[({[4-(prop-2-en-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoateSALOR-INT L413933-1EABenzoic acid, 4-[[2-[[4-(2-propen-1-yl)-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-, methyl ester
Database identifiers
- CAS
573973-78-1- PubChem CID
- 1979692
- EC Number
- 638-270-2
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 557
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- 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
- H315-H319-H335
- 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
Loading…