2-hexadecylsulfonyl-5-[[(3-methyl-5-sulfo-benzothiazol-2-ylidene)amino]sulfamoyl]benzoic acid

Modify Date: 2025-09-24 20:00:07

2-hexadecylsulfonyl-5-[[(3-methyl-5-sulfo-benzothiazol-2-ylidene)amino]sulfamoyl]benzoic acid structure	Common Name	2-hexadecylsulfonyl-5-[[(3-methyl-5-sulfo-benzothiazol-2-ylidene)amino]sulfamoyl]benzoic acid
	CAS Number	29338-10-1	Molecular Weight	731.96400
	Density	1.37g/cm3	Boiling Point	N/A
	Molecular Formula	C₃₁H₄₅N₃O₉S₄	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A

Name	2-hexadecylsulfonyl-5-[[(E)-(3-methyl-5-sulfo-1,3-benzothiazol-2-ylidene)amino]sulfamoyl]benzoic acid

Density	1.37g/cm3
Molecular Formula	C₃₁H₄₅N₃O₉S₄
Molecular Weight	731.96400
Exact Mass	731.20400
PSA	242.65000
LogP	9.86720
Index of Refraction	1.623
InChIKey	ACLJLSKRXVFLTA-QNEJGDQOSA-N
SMILES	CCCCCCCCCCCCCCCCS(=O)(=O)c1ccc(S(=O)(=O)NN=c2sc3ccc(S(=O)(=O)O)cc3n2C)cc1C(=O)O

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