Enoximone

CAT: 0127-BUP04414-04Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP04414-04Size:25 mg

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CAS Number

77671-31-9

Purity

=95%

Smiles

CSc1ccc(cc1)C(=O)c1[nH]c(=O)[nH]c1C

Chemical Information

Enoximone

Enoximone is an aromatic ketone.

CAS Number	77671-31-9
PubChem CID	53708
IUPAC Name	4-methyl-5-(4-methylsulfanylbenzoyl)-1,3-dihydroimidazol-2-one
Molecular Formula	C12H12N2O2S
Molecular Weight	248.30
XLogP	1.6
Topological Polar Surface Area	83.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	17
Formal Charge	0
Complexity	371

SMILES

CC1=C(NC(=O)N1)C(=O)C2=CC=C(C=C2)SC

InChI

InChI=1S/C12H12N2O2S/c1-7-10(14-12(16)13-7)11(15)8-3-5-9(17-2)6-4-8/h3-6H,1-2H3,(H2,13,14,16)

InChIKey

ZJKNESGOIKRXQY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 77671-31-9

CID: 53708

Formula: C12H12N2O2S

MW: 248.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	248.30
XLogP3	1.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	248.06194880
Monoisotopic Mass	248.06194880
Topological Polar Surface Area	83.5 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	371
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
317773	Enoximone
MBS5811161	Enoximone sulfoxide