AC1MHUZW structure

AC1MHUZW

dipotassium;7-[(4-pentoxyphenyl)carbamothioylamino]naphthalene-1,3-disulfonate

Also Known As: 1,3-Naphthalenedisulfonic acid, 7-(3-(p-(pentyloxy)phenyl)-2-thioureido)-, dipotassium salt|7-(3-(p-(Pentyloxy)phenyl)-2-thioureido)-1,3-naphthalenedisulfonic acid dipotassium salt|DIPOTASSIUM 7-[(4-PENTOXYPHENYL)THIOCARBAMOYLAMINO]NAPHTHALENE-1,3-DISULFONATE|DIPOTASSIUM 7-({[4-(PENTYLOXY)PHENYL]CARBAMOTHIOYL}AMINO)NAPHTHALENE-1,3-DISULFONATE|dipotassium 7-[(4-pentoxyphenyl)carbamothioylamino]naphthalene-1,3-disulfonate|dipotassium,7-[(4-pentoxyphenyl)carbamothioylamino]naphthalene-1,3-disulfonate

CAS: 37556-93-7
Molecular Formula C22H22K2N2O7S3
Molecular Weight 599.9863 g/mol
LogP -1.9661
Topological Polar Surface Area 147.69 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 8
Rotatable Bonds 9
Exact Mass 599.9863
Monoisotopic Mass 599.9863
Heavy Atoms 36
Complexity 1415.5774

Chemical Identifiers

CAS Number 37556-93-7
SMILES CCCCCOC1=CC=C(C=C1)NC(=S)NC2=CC3=C(C=C(C=C3C=C2)S(=O)(=O)[O-])S(=O)(=O)[O-].[K+].[K+]

Product Overview

AC1MHUZW (CAS 37556-93-7), with molecular formula C22H22K2N2O7S3 and molecular weight 599.9863 g/mol. IUPAC: dipotassium;7-[(4-pentoxyphenyl)carbamothioylamino]naphthalene-1,3-disulfonate.

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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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