Ethyl (imino) (3-methylphenyl) -lambda6-sulfanone

CAT: 0127-OR1072856-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1072856-01Size:100 mg

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CAS Number

121034-20-6

MDL Number

MFCD30345154

Purity

95%

Smiles

O=S(C1=CC=CC(C)=C1)(CC)=N

Chemical Information

Ethyl(imino)(3-methylphenyl)-lambda6-sulfanone

CAS Number	121034-20-6
PubChem CID	86632826
IUPAC Name	ethyl-imino-(3-methylphenyl)-oxo-lambda6-sulfane
Molecular Formula	C9H13NOS
Molecular Weight	183.27
XLogP	3.2
Topological Polar Surface Area	49.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	243

SMILES

CCS(=N)(=O)C1=CC=CC(=C1)C

InChI

InChI=1S/C9H13NOS/c1-3-12(10,11)9-6-4-5-8(2)7-9/h4-7,10H,3H2,1-2H3

InChIKey

REHDGEXDKAGYKO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 121034-20-6

CID: 86632826

Formula: C9H13NOS

MW: 183.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	183.27
XLogP3	3.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	183.07178521
Monoisotopic Mass	183.07178521
Topological Polar Surface Area	49.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	243
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
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Catalog	Name
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