(5Z)-3-Cyclohexyl-5-((3-(3-isobutoxy-2-methylphenyl)-1-phenyl-1H-pyrazol-4-YL)methylene)-2-thioxo-1,3-thiazolidin-4-one

HCID 6092007

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Basic information

CAS: 623936-35-6
Standard SMILES: Cc1c(OCC(C)C)cccc1-c1nn(-c2ccccc2)cc1/C=C1\SC(=S)N(C2CCCCC2)C1=O
InChIKey: NHADXRJUKYWGTC-PKAZHMFMSA-N
Molecular formula: C30H33N3O2S2
Average molar mass: 531.7 g/mol
Monoisotopic mass: 531.20141965

Names & identifiers

Preferred name: (5Z)-3-Cyclohexyl-5-((3-(3-isobutoxy-2-methylphenyl)-1-phenyl-1H-pyrazol-4-YL)methylene)-2-thioxo-1,3-thiazolidin-4-one
IUPAC: (5Z)-3-cyclohexyl-5-[[3-[2-methyl-3-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
English name: SALOR-INT L439088-1EA
Molecular formula: C30H33N3O2S2
Molecular weight: 531.73

Names & synonyms

623936-35-6(5Z)-3-cyclohexyl-5-{[3-(3-isobutoxy-2-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-2-thioxo-1,3-thiazolidin-4-one(5Z)-3-Cyclohexyl-5-((3-(3-isobutoxy-2-methylphenyl)-1-phenyl-1H-pyrazol-4-YL)methylene)-2-thioxo-1,3-thiazolidin-4-oneRefChem:404596644-487-33-Cyclohexyl-5-((3-(3-isobutoxy-2-methylphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-oneSTK880868AKOS002196524(5Z)-3-cyclohexyl-5-({3-[2-methyl-3-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2-thioxo-1,3-thiazolidin-4-oneSALOR-INT L439088-1EA(5Z)-3-CYCLOHEXYL-5-([3-(3-ISOBUTOXY-2-METHYLPHENYL)-1-PHENYL-1H-PYRAZOL-4-YL]METHYLENE)-2-THIOXO-1,3-THIAZOLIDIN-4-ONE

Database identifiers

CAS: 623936-35-6
PubChem CID: 6092007
EC Number: 644-487-3

Properties

Computed structural properties

XLogP: 8.1
Topological polar surface area: 105 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 7
Heavy atoms: 37
Formal charge: 0
Complexity: 837

Physicochemical properties

Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H319-H315
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-H319-H315
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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