2-[(3Z)-5-bromo-2-oxo-3-(4-oxo-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)indol-1-yl]acetic acid
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2-[(3Z)-5-bromo-2-oxo-3-(4-oxo-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)indol-1-yl]acetic acid
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CAS No:
618071-68-4
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Formula:
C16H13BrN2O4S2
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Chemical Name:
2-[(3Z)-5-bromo-2-oxo-3-(4-oxo-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)indol-1-yl]acetic acid
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Synonyms:
SCHEMBL12297883;HMS1428E04;ZINC2695374;SALOR-INT L420212-1EA;STK813633;AKOS002193790;IDI1_011127;[(3Z)-5-BROMO-3-(3-ISOPROPYL-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE)-2-OXO-2,3-DIHYDRO-1H-INDOL-1-YL]ACETIC ACID;{(3Z)-5-bromo-2-oxo-3-[4-oxo-3-(propan-2-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]-2,3-dihydro-1H-indol-1-yl}acetic acid;2-(5-Bromo-3-(3-isopropyl-4-oxo-2-thioxothiazolidin-5-ylidene)-2-oxoindolin-1-yl)acetic acid;618071-68-4
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CAS No:
2-[(3Z)-5-bromo-2-oxo-3-(4-oxo-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)indol-1-yl]acetic acid Basic Attributes
441.3 g/mol
439.95001 g/mol
Safety Information
|Warning|H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]|P273, P391, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:441.3
XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:439.95001
Monoisotopic Mass:439.95001
Topological Polar Surface Area:135
Heavy Atom Count:25
Complexity:694
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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