(5Z)-5-((3-(4-Butoxy-2-methylphenyl)-1-phenyl-1H-pyrazol-4-YL)methylene)-2-(4-methoxyphenyl)(1,3)thiazolo(3,2-B)(1,2,4)triazol-6(5H)-one

HCID 6516705

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Basic information

CAS: 623935-19-3
Standard SMILES: CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(-c4ccc(OC)cc4)nn3c2=O)c(C)c1
InChIKey: WZPAAVPAOFGLMS-USHMODERSA-N
Molecular formula: C32H29N5O3S
Average molar mass: 563.7 g/mol
Monoisotopic mass: 563.19911098

Names & identifiers

Preferred name: (5Z)-5-((3-(4-Butoxy-2-methylphenyl)-1-phenyl-1H-pyrazol-4-YL)methylene)-2-(4-methoxyphenyl)(1,3)thiazolo(3,2-B)(1,2,4)triazol-6(5H)-one
IUPAC: (5Z)-5-[[3-(4-butoxy-2-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
English name: SALOR-INT L432989-1EA
Molecular formula: C32H29N5O3S
Molecular weight: 563.67

Names & synonyms

623935-19-3(5Z)-5-{[3-(4-BUTOXY-2-METHYLPHENYL)-1-PHENYL-1H-PYRAZOL-4-YL]METHYLENE}-2-(4-METHOXYPHENYL)[1,3]THIAZOLO[3,2-B][1,2,4]TRIAZOL-6(5H)-ONE(5Z)-5-((3-(4-Butoxy-2-methylphenyl)-1-phenyl-1H-pyrazol-4-YL)methylene)-2-(4-methoxyphenyl)(1,3)thiazolo(3,2-B)(1,2,4)triazol-6(5H)-oneRefChem:404733647-075-15-((3-(4-Butoxy-2-methylphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-2-(4-methoxyphenyl)thiazolo[3,2-b][1,2,4]triazol-6(5H)-oneSTK813037AKOS002193019(5Z)-5-{[3-(4-butoxy-2-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-(4-methoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-oneSALOR-INT L432989-1EA(5Z)-5-([3-(4-BUTOXY-2-METHYLPHENYL)-1-PHENYL-1H-PYRAZOL-4-YL]METHYLENE)-2-(4-METHOXYPHENYL)[1,3]THIAZOLO[3,2-B][1,2,4]TRIAZOL-6(5H)-ONE

Database identifiers

CAS: 623935-19-3
PubChem CID: 6516705
EC Number: 647-075-1

Properties

Computed structural properties

XLogP: 7.5
Topological polar surface area: 109 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 9
Heavy atoms: 41
Formal charge: 0
Complexity: 908

Physicochemical properties

Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H315-H319
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

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: H335-H315-H319
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

Chemistry & industry

Suppliers2 total

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

SIGMAALDRICH—

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