2-((3-Cyano-6-(2-thienyl)-4-(trifluoromethyl)-2-pyridinyl)thio)acetamide

HCID 786184

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Basic information

CAS: 299198-19-9
Standard SMILES: N#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1SCC(N)=O
InChIKey: LNLIHASOZZDHMS-UHFFFAOYSA-N
Molecular formula: C13H8F3N3OS2
Average molar mass: 343.4 g/mol
Monoisotopic mass: 343.00608872

Names & identifiers

Preferred name: 2-((3-Cyano-6-(2-thienyl)-4-(trifluoromethyl)-2-pyridinyl)thio)acetamide
IUPAC: 2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
English name: AKOS USSH-4110152
Molecular formula: C13H8F3N3OS2
Molecular weight: 343.35

Names & synonyms

299198-19-92-((3-CYANO-6-(2-THIENYL)-4-(TRIFLUOROMETHYL)-2-PYRIDINYL)THIO)ACETAMIDE2-{[3-cyano-6-(2-thienyl)-4-(trifluoromethyl)-2-pyridinyl]thio}acetamideRefChem:448151649-029-6AKOS USSH-4110152STK8705882-[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetamideAKOS000575268ST50301822AG-205/33139007SR-01000507179

Show more names

SALOR-INT L224383-1EAAcetamide, 2-[[3-cyano-6-(2-thienyl)-4-(trifluoromethyl)-2-pyridinyl]thio]-

SR-01000507179-1Z927221532-[3-cyano-6-(2-thienyl)-4-(trifluoromethyl)-2-pyridylthio]acetamide2-((3-Cyano-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridin-2-yl)thio)acetamide2-{[3-cyano-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetamide2-{[3-cyano-6-thien-2-yl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetamide

Database identifiers

CAS: 299198-19-9
PubChem CID

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 133 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 8
Rotatable bonds: 4
Heavy atoms: 22
Formal charge: 0
Complexity: 465

Physicochemical properties

Boiling point: 531.1 · 531.1±50.0 °C(Predicted)
Density: 1.54 · 1.54±0.1 g/cm3(Predicted)
pka: 15.03 · 15.03±0.40(Predicted)
Symbol(GHS): 7 · GHS07,GHS05
Signal word: Danger
Hazard statements: 315 · H315-H318-H335
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310

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

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+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: Danger
Symbol(GHS): GHS07,GHS05
Hazard statements: H315-H318-H335
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310

Chemistry & industry

Suppliers5 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]

AKOS[email protected]

SIGMAALDRICH—

Related reactions

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Compound notes

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