((3-Bromophenyl) imino) dimethyl-lambda6-sulfanone

CAT: 0127-OR89106-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR89106-01Size:100 mg

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CAS Number

1628604-87-4

MDL Number

MFCD30344806

Purity

97%

Smiles

CS(C)(=O)=NC1=CC=CC(Br)=C1

Chemical Information

[(3-Bromophenyl)imino]dimethyl-lambda6-sulfanone

CAS Number	1628604-87-4
PubChem CID	90414134
IUPAC Name	(3-bromophenyl)imino-dimethyl-oxo-lambda6-sulfane
Molecular Formula	C8H10BrNOS
Molecular Weight	248.14
XLogP	2.7
Topological Polar Surface Area	37.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	250

SMILES

CS(=NC1=CC(=CC=C1)Br)(=O)C

InChI

InChI=1S/C8H10BrNOS/c1-12(2,11)10-8-5-3-4-7(9)6-8/h3-6H,1-2H3

InChIKey

CTIMVZSQYDXRAP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1628604-87-4

CID: 90414134

Formula: C8H10BrNOS

MW: 248.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	248.14
XLogP3	2.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	246.96665
Monoisotopic Mass	246.96665
Topological Polar Surface Area	37.8 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	250
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
OR88258-01	(3-Bromophenyl) (imino) (methyl) -lambda6-sulfanone
OR1072939-01	Diethyl (imino) -lambda6-sulfanone
OR1073233-01	Cyclopropyl (imino) (methyl) -lambda6-sulfanone
OR1072856-01	Ethyl (imino) (3-methylphenyl) -lambda6-sulfanone
OR95501-01	Imino (4-methoxyphenyl) (methyl) -lambda6-sulfanone
PC111560-01	(3-Bromophenyl) (difluoromethyl) (imino) -l6-sulfanone
OR1101935-01	Imino (methyl) (2-methylphenyl) -lambda6-sulfanone
OR92376-01	Imino (methyl) (4-methylphenyl) -lambda6-sulfanone
OR1036776	(3-Bromophenyl) (ethyl) (imino) -l6-sulfanone
OR78565-01	Imino (methyl) (pyridin-2-yl) -lambda6-sulfanone

Catalog	Name
IIB45947-01	(2-Bromophenyl) (imino) methyl-lambda6-sulfanone
WPC96258-01	Dimethyl[ (pyridin-3-yl) imino]-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
KHD03024-01	(3-Chlorophenyl) (ethyl) imino-λ6-sulfanone
MRD28880-01	[3- (Chloromethyl) phenyl] (imino) propyl-λ6-sulfanone hydrochloride
KHD05713-01	Imino (methyl) (2-methylfuran-3-yl) -λ6-sulfanone
LUD63400-01	(Azetidin-3-yl) (imino) methyl-λ6-sulfanone dihydrochloride
AR-U01061-01	1,3-Dimethyl-4-imino-uracil