DTXSID10889585

disodium;2-[4-[[1-(2-methoxyanilino)-1,3-dioxobutan-2-yl]diazenyl]-3-sulfonatophenyl]-6-methyl-1,3-benzothiazole-7-sulfonate

CAS: 10190-68-8

Molecular Formula	`C25H20N4Na2O9S3`
Molecular Weight	662.6 g/mol
Topological Polar Surface Area	252.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	13
Rotatable Bonds	7
Exact Mass	662.0188
Heavy Atoms	43
Complexity	1180.0

Chemical Identifiers

CAS Number	10190-68-8
SMILES	`CC1=C(C2=C(C=C1)N=C(S2)C3=CC(=C(C=C3)N=NC(C(=O)C)C(=O)NC4=CC=CC=C4OC)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]`
InChIKey	`WLDNGJFRVWQASY-UHFFFAOYSA-L`

📖 Product Overview

DTXSID10889585 (CAS: 10190-68-8) is a chemical compound with molecular formula C25H20N4Na2O9S3 and molecular weight 662.6 g/mol. Its IUPAC systematic name is disodium;2-[4-[[1-(2-methoxyanilino)-1,3-dioxobutan-2-yl]diazenyl]-3-sulfonatophenyl]-6-methyl-1,3-benzothiazole-7-sulfonate. Topological Polar Surface Area 252.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 13 Rotatable Bonds 7 Exact Mass 662.0188 Heavy Atoms 43 Complexity 1180.0 InChI Key: WLDNGJFRVWQASY-UHFFFAOYSA-L. SMILES: CC1=C(C2=C(C=C1)N=C(S2)C3=CC(=C(C=C3)N=NC(C(=O)C)C(=O)NC4=CC=CC=C4OC)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].

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