2-({4-Allyl-5-[(phenylsulfanyl)methyl]-4H-1,2,4-triazol-3-YL}sulfanyl)-N-(3-methylphenyl)acetamide
Basic information
- CAS
538337-39-2- Standard SMILES
C=CCn1c(CSc2ccccc2)nnc1SCC(=O)Nc1cccc(C)c1- InChIKey
FEBFOHWDQDMGBR-UHFFFAOYSA-N- Molecular formula
- C21H22N4OS2
- Average molar mass
- 410.6 g/mol
- Monoisotopic mass
- 410.12350369
Names & identifiers
- Preferred name
- 2-({4-Allyl-5-[(phenylsulfanyl)methyl]-4H-1,2,4-triazol-3-YL}sulfanyl)-N-(3-methylphenyl)acetamide
- IUPAC
- N-(3-methylphenyl)-2-[[5-(phenylsulfanylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
- English name
- SALOR-INT L442976-1EA
- Molecular formula
- C21H22N4OS2
- Molecular weight
- 410.56
Names & synonyms
538337-39-22-({4-allyl-5-[(phenylsulfanyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-methylphenyl)acetamide2-((4-ALLYL-5-((PHENYLSULFANYL)METHYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)-N-(3-METHYLPHENYL)ACETAMIDERefChem:448667644-850-62-((4-Allyl-5-((phenylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(m-tolyl)acetamideAKOS002238526ST50113611N-(3-methylphenyl)-2-[5-(phenylthiomethyl)-4-prop-2-enyl(1,2,4-triazol-3-ylthi o)]acetamideSALOR-INT L442976-1EA2-((4-ALLYL-5-[(PHENYLSULFANYL)METHYL]-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)-N-(3-METHYLPHENYL)ACETAMIDE
Database identifiers
- CAS
538337-39-2- PubChem CID
- 4637540
- EC Number
- 644-850-6
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 501
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H413-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, 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 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-H413-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Suppliers
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Related reactions
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Compound notes
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