2-((4-Allyl-5-(2-thienyl)-4H-1,2,4-triazol-3-YL)thio)-N-(2-F-PH)acetamide

HCID 535375

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Basic information

CAS: 442656-29-3
Standard SMILES: C=CCn1c(SCC(=O)Nc2ccccc2F)nnc1-c1cccs1
InChIKey: PASYHNNQODECSW-UHFFFAOYSA-N
Molecular formula: C17H15FN4OS2
Average molar mass: 374.5 g/mol
Monoisotopic mass: 374.06713162

Names & identifiers

Preferred name: 2-((4-Allyl-5-(2-thienyl)-4H-1,2,4-triazol-3-YL)thio)-N-(2-F-PH)acetamide
IUPAC: N-(2-fluorophenyl)-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
English name: SALOR-INT L413879-1EA
Molecular formula: C17H15FN4OS2
Molecular weight: 374.46

Names & synonyms

442656-29-32-((4-ALLYL-5-(2-THIENYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)-N-(2-F-PH)ACETAMIDERefChem:448800638-278-6N-(2-fluorophenyl)-2-{[4-(prop-2-en-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide2-((4-Allyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-fluorophenyl)acetamideN-(2-fluorophenyl)-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamidePASYHNNQODECSW-UHFFFAOYSA-NSTK697205AKOS001728123EU-0019752ST50424239

Show more names

SALOR-INT L413879-1EAAcetamide, N-(2-fluorophenyl)-2-[[4-(2-propen-1-yl)-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]thio]-

SR-01000537902SR-01000537902-12-([4-Allyl-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]sulfanyl)-N-(2-fluorophenyl)acetamide #2-(4-Allyl-5-thiophen-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(2-fluoro-phenyl)-acetamide

Database identifiers

CAS: 442656-29-3
PubChem CID: 535375
EC Number: 638-278-6

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 113 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 7
Heavy atoms: 25
Formal charge: 0
Complexity: 470

Physicochemical properties

Density: 1.36 · 1.36±0.1 g/cm3(Predicted)
pka: 11.93 · 11.93±0.70(Predicted)
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 · 4 items

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

Chemistry & industry

Suppliers4 total

PHARMEKS Ltd.[email protected]

Interbioscreen Ltd.[email protected]

西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]

SIGMAALDRICH—

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