Compound C18H18N4O6S4

3-ethyl-2-[(3-ethyl-6-sulfo-1,3-benzothiazol-2-ylidene)hydrazinylidene]-1,3-benzothiazole-6-sulfonic acid

CAS: 28752-68-3

Molecular Formula	`C18H18N4O6S4`
Molecular Weight	514.6 g/mol
LogP	2.5
Topological Polar Surface Area	207.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	10
Rotatable Bonds	5
Exact Mass	514.0109
Heavy Atoms	32
Complexity	910.0

Chemical Identifiers

CAS Number	28752-68-3
SMILES	`CCN1C2=C(C=C(C=C2)S(=O)(=O)O)SC1=NN=C3N(C4=C(S3)C=C(C=C4)S(=O)(=O)O)CC`
InChIKey	`ZTOJFFHGPLIVKC-UHFFFAOYSA-N`

📖 Product Overview

Compound C18H18N4O6S4 (CAS: 28752-68-3) is a chemical compound with molecular formula C18H18N4O6S4 and molecular weight 514.6 g/mol. Its IUPAC systematic name is 3-ethyl-2-[(3-ethyl-6-sulfo-1,3-benzothiazol-2-ylidene)hydrazinylidene]-1,3-benzothiazole-6-sulfonic acid. LogP 2.5 Topological Polar Surface Area 207.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 10 Rotatable Bonds 5 Exact Mass 514.0109 Heavy Atoms 32 Complexity 910.0 InChI Key: ZTOJFFHGPLIVKC-UHFFFAOYSA-N. SMILES: CCN1C2=C(C=C(C=C2)S(=O)(=O)O)SC1=NN=C3N(C4=C(S3)C=C(C=C4)S(=O)(=O)O)CC.

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