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

CAT: 0127-OR88258-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR88258-01Size:100 mg

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CAS Number

1789700-09-9

MDL Number

MFCD28968130

Purity

98%

Smiles

CS(=N)(=O)C1=CC=CC(Br)=C1

Chemical Information

1-bromo-3-(S-methylsulfonimidoyl)benzene

CAS Number	1789700-09-9
PubChem CID	122130942
IUPAC Name	(3-bromophenyl)-imino-methyl-oxo-lambda6-sulfane
Molecular Formula	C7H8BrNOS
Molecular Weight	234.12
XLogP	3.3
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	235

SMILES

CS(=N)(=O)C1=CC(=CC=C1)Br

InChI

InChI=1S/C7H8BrNOS/c1-11(9,10)7-4-2-3-6(8)5-7/h2-5,9H,1H3

InChIKey

WJVBEFFLTYIYPW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1789700-09-9

CID: 122130942

Formula: C7H8BrNOS

MW: 234.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	234.12
XLogP3	3.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	232.95100
Monoisotopic Mass	232.95100
Topological Polar Surface Area	49.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	235
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
OR89106-01	((3-Bromophenyl) imino) dimethyl-lambda6-sulfanone
OR1073233-01	Cyclopropyl (imino) (methyl) -lambda6-sulfanone
OR95501-01	Imino (4-methoxyphenyl) (methyl) -lambda6-sulfanone
OR1072939-01	Diethyl (imino) -lambda6-sulfanone
OR1101935-01	Imino (methyl) (2-methylphenyl) -lambda6-sulfanone
OR92376-01	Imino (methyl) (4-methylphenyl) -lambda6-sulfanone
OR78565-01	Imino (methyl) (pyridin-2-yl) -lambda6-sulfanone
OR1072856-01	Ethyl (imino) (3-methylphenyl) -lambda6-sulfanone
OR1034066-01	(4-bromophenyl) (imino) (methyl) -?6-sulfanone
OR1041028-01	Imino (methyl) (piperidin-4-yl) -lambda6-sulfanone hydrochloride

Catalog	Name
IIB45947-01	(2-Bromophenyl) (imino) methyl-lambda6-sulfanone
NBA40138-01	Benzyl (imino) methyl-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
XAA13301-01	Imino (methyl) (4-nitrophenyl) -λ6-sulfanone
KHD05713-01	Imino (methyl) (2-methylfuran-3-yl) -λ6-sulfanone
LUD63400-01	(Azetidin-3-yl) (imino) methyl-λ6-sulfanone dihydrochloride
HFD04504-01	Imino (methyl) (piperazin-1-yl) -λ6-sulfanone
KHD06340-01	[4- (Dimethylamino) phenyl] (imino) methyl-λ6-sulfanone