Azoxydapsone

CAT: 0926-KBA04012-03Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-KBA04012-03Size:10 mg

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CAS Number

35040-12-1

Smiles

C1=CC (=CC=C1N) S (=O) (=O) C2=CC=C (C=C2) N=[N+] (C3=CC=C (C=C3) S (=O) (=O) C4=CC=C (C=C4) N) [O-]

Molecular Formula

C24H20N4O5S2

Molecular Weight

508.6 g/mol

Controlled

Chemical Information

Azoxydapsone

CAS Number	35040-12-1
PubChem CID	380146
IUPAC Name	[4-(4-aminophenyl)sulfonylphenyl]-[4-(4-aminophenyl)sulfonylphenyl]imino-oxidoazanium
Molecular Formula	C24H20N4O5S2
Molecular Weight	508.6
XLogP	3.4
Topological Polar Surface Area	178
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Heavy Atom Count	35
Formal Charge	0
Complexity	927

SMILES

C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)N=[N+](C3=CC=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)N)[O-]

InChI

InChI=1S/C24H20N4O5S2/c25-17-1-9-21(10-2-17)34(30,31)23-13-5-19(6-14-23)27-28(29)20-7-15-24(16-8-20)35(32,33)22-11-3-18(26)4-12-22/h1-16H,25-26H2

InChIKey

SMEWQWPADHSEIL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 35040-12-1

CID: 380146

Formula: C24H20N4O5S2

MW: 508.6

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	508.6
XLogP3	3.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Exact Mass	508.08751210
Monoisotopic Mass	508.08751210
Topological Polar Surface Area	178 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	927
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
442045-01	Azoxydapsone