Imino (methyl) (4-methylphenyl) -lambda6-sulfanone

CAT: 0127-OR92376-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR92376-01Size:250 mg

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CAS Number

22132-97-4

MDL Number

MFCD00102067

Purity

96%

Smiles

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

Chemical Information

1-(S-Methanesulfonimidoyl)-4-methylbenzene

CAS Number	22132-97-4
PubChem CID	299578
IUPAC Name	imino-methyl-(4-methylphenyl)-oxo-lambda6-sulfane
Molecular Formula	C8H11NOS
Molecular Weight	169.25
XLogP	3.5
Topological Polar Surface Area	49.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	222

SMILES

CC1=CC=C(C=C1)S(=N)(=O)C

InChI

InChI=1S/C8H11NOS/c1-7-3-5-8(6-4-7)11(2,9)10/h3-6,9H,1-2H3

InChIKey

XOMQMMJNWFJFBZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 22132-97-4

CID: 299578

Formula: C8H11NOS

MW: 169.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	169.25
XLogP3	3.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	169.05613515
Monoisotopic Mass	169.05613515
Topological Polar Surface Area	49.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	222
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
OR1101935-01	Imino (methyl) (2-methylphenyl) -lambda6-sulfanone
OR95501-01	Imino (4-methoxyphenyl) (methyl) -lambda6-sulfanone
OR1073233-01	Cyclopropyl (imino) (methyl) -lambda6-sulfanone
OR1072856-01	Ethyl (imino) (3-methylphenyl) -lambda6-sulfanone
OR1072939-01	Diethyl (imino) -lambda6-sulfanone
OR88258-01	(3-Bromophenyl) (imino) (methyl) -lambda6-sulfanone
OR1041028-01	Imino (methyl) (piperidin-4-yl) -lambda6-sulfanone hydrochloride
OR78565-01	Imino (methyl) (pyridin-2-yl) -lambda6-sulfanone
OR89106-01	((3-Bromophenyl) imino) dimethyl-lambda6-sulfanone
OR1034844-01	(4-Acetylphenyl) (imino) (methyl) -l6-sulfanone

Catalog	Name
IIB45947-01	(2-Bromophenyl) (imino) methyl-lambda6-sulfanone
KLB78061-01	[ (4-Aminophenyl) imino]dimethyl-lambda6-sulfanone
NBA40138-01	Benzyl (imino) methyl-sulfanone
XAA13301-01	Imino (methyl) (4-nitrophenyl) -λ6-sulfanone
KHD06340-01	[4- (Dimethylamino) phenyl] (imino) methyl-λ6-sulfanone
KHD05727-01	(2,4-Difluorophenyl) (imino) methyl-λ6-sulfanone
XMC01981-01	Imino (3-methoxyphenyl) methyl-λ6-sulfanone
FSD25514-01	(3-Hydroxycyclopentyl) (imino) methyl-λ6-sulfanone
LCD18502-01	(3-Fluorophenyl) (imino) (methyl) -λ6-sulfanone
TMD06150-01	[4- (Benzyloxy) phenyl] (imino) methyl-λ6-sulfanone hydrochloride