1,5-Naphthalenedisulfonic acid, 3,3'-[carbonylbis[imino(2-methyl-4,1-phenylene)azo]]bis- structure

1,5-Naphthalenedisulfonic acid, 3,3'-[carbonylbis[imino(2-methyl-4,1-phenylene)azo]]bis-

3-[[4-[[4-[(4,8-disulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]carbamoylamino]-2-methylphenyl]diazenyl]naphthalene-1,5-disulfonic acid

CAS: 25738-24-3
Molecular Formula C35H28N6O13S4
Molecular Weight 868.9 g/mol
LogP 4.3
Topological Polar Surface Area 342.0 A2
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 17
Rotatable Bonds 10
Exact Mass 868.0597
Heavy Atoms 58
Complexity 1840.0

Chemical Identifiers

CAS Number 25738-24-3
SMILES CC1=C(C=CC(=C1)NC(=O)NC2=CC(=C(C=C2)N=NC3=CC4=C(C=CC=C4S(=O)(=O)O)C(=C3)S(=O)(=O)O)C)N=NC5=CC6=C(C=CC=C6S(=O)(=O)O)C(=C5)S(=O)(=O)O
InChIKey XFUDRSZJCBDNPN-UHFFFAOYSA-N

📖 Product Overview

1,5-Naphthalenedisulfonic acid, 3,3'-[carbonylbis[imino(2-methyl-4,1-phenylene)azo]]bis- (CAS: 25738-24-3) is a chemical compound with molecular formula C35H28N6O13S4 and molecular weight 868.9 g/mol. Its IUPAC systematic name is 3-[[4-[[4-[(4,8-disulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]carbamoylamino]-2-methylphenyl]diazenyl]naphthalene-1,5-disulfonic acid. LogP 4.3 Topological Polar Surface Area 342.0 A2 Hydrogen Bond Donors 6 Hydrogen Bond Acceptors 17 Rotatable Bonds 10 Exact Mass 868.0597 Heavy Atoms 58 Complexity 1840.0 InChI Key: XFUDRSZJCBDNPN-UHFFFAOYSA-N. SMILES: CC1=C(C=CC(=C1)NC(=O)NC2=CC(=C(C=C2)N=NC3=CC4=C(C=CC=C4S(=O)(=O)O)C(=C3)S(=O)(=O)O)C)N=NC5=CC6=C(C=CC=C6S(=O)(=O)O)C(=C5)S(=O)(=O)O.

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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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