2-((3Z)-3-(3-Allyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-2-oxo-2,3-dihydro-1H-indol-1-YL)-N-(2,5-dimethylphenyl)acetamide

HCID 5862736

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Basic information

CAS: 617694-08-3
Standard SMILES: C=CCN1C(=O)/C(=C2/C(=O)N(CC(=O)Nc3cc(C)ccc3C)c3ccccc32)SC1=S
InChIKey: SHXZRUKOOPZCLI-MRCUWXFGSA-N
Molecular formula: C24H21N3O3S2
Average molar mass: 463.6 g/mol
Monoisotopic mass: 463.10243389

Names & identifiers

Preferred name: 2-((3Z)-3-(3-Allyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-2-oxo-2,3-dihydro-1H-indol-1-YL)-N-(2,5-dimethylphenyl)acetamide
IUPAC: N-(2,5-dimethylphenyl)-2-[(3Z)-2-oxo-3-(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)indol-1-yl]acetamide
English name: SALOR-INT L436011-1EA
Molecular formula: C24H21N3O3S2
Molecular weight: 463.57

Names & synonyms

617694-08-32-[(3Z)-3-(3-ALLYL-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE)-2-OXO-2,3-DIHYDRO-1H-INDOL-1-YL]-N-(2,5-DIMETHYLPHENYL)ACETAMIDE2-((3Z)-3-(3-Allyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-2-oxo-2,3-dihydro-1H-indol-1-YL)-N-(2,5-dimethylphenyl)acetamideRefChem:448332646-203-3STK880610AKOS002194622N-(2,5-dimethylphenyl)-2-{(3Z)-2-oxo-3-[4-oxo-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]-2,3-dihydro-1H-indol-1-yl}acetamideSALOR-INT L436011-1EA

Database identifiers

CAS: 617694-08-3
PubChem CID: 5862736
EC Number: 646-203-3

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 127 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 32
Formal charge: 0
Complexity: 871

Physicochemical properties

Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 413 · H413-H302
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501

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

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P273, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H413-H302
Precautionary statements: P264-P270-P301+P312-P330-P501

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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