AC1NYWMO structure

AC1NYWMO

2-[(5Z)-5-(5-bromo-2-oxo-1-pentylindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid

Also Known As: 2-(5-(5-Bromo-2-oxo-1-pentylindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)ethanesulfonic acid|2-[(5Z)-5-(5-bromo-2-oxo-1-pentyl-1,2-dihydro-3H-indol-3-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]ethanesulfonic acid|2-((5Z)-5-(5-Bromo-2-oxo-1-pentyl-1,2-dihydro-3H-indol-3-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-YL)ethanesulfonic acid|2-[(5Z)-5-(5-bromo-2-oxo-1-pentylindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid|645-877-6

CAS: 618077-01-3
Molecular Formula C18H19BrN2O5S3
Molecular Weight 517.9639 g/mol
LogP 3.4451
Topological Polar Surface Area 94.99 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
Rotatable Bonds 7
Exact Mass 517.9639
Monoisotopic Mass 517.9639
Heavy Atoms 29
Complexity 1022.32294

Chemical Identifiers

CAS Number 618077-01-3
SMILES CCCCCN1C2=C(C=C(C=C2)Br)/C(=C/3\C(=O)N(C(=S)S3)CCS(=O)(=O)O)/C1=O

Product Overview

AC1NYWMO (CAS 618077-01-3), with molecular formula C18H19BrN2O5S3 and molecular weight 517.9639 g/mol. IUPAC: 2-[(5Z)-5-(5-bromo-2-oxo-1-pentylindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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