(2-bromophenyl) (methoxymethyl) sulfane

CAT: 0127-OR1096970-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1096970-01Size:250 mg

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CAS Number

146335-10-6

Purity

97%

Smiles

S (c1c (cccc1) Br) COC

Chemical Information

(2-Bromophenyl)(methoxymethyl)sulfane

CAS Number	146335-10-6
PubChem CID	15043869
IUPAC Name	1-bromo-2-(methoxymethylsulfanyl)benzene
Molecular Formula	C8H9BrOS
Molecular Weight	233.13
XLogP	3.1
Topological Polar Surface Area	34.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	11
Formal Charge	0
Complexity	110

SMILES

COCSC1=CC=CC=C1Br

InChI

InChI=1S/C8H9BrOS/c1-10-6-11-8-5-3-2-4-7(8)9/h2-5H,6H2,1H3

InChIKey

QODQUQJHKMVPJR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 146335-10-6

CID: 15043869

Formula: C8H9BrOS

MW: 233.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	233.13
XLogP3	3.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	231.95575
Monoisotopic Mass	231.95575
Topological Polar Surface Area	34.5 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	110
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
OR1096666-01	(4-bromophenyl) (methoxymethyl) sulfane
OR1099516-01	Benzyl (2-bromophenyl) sulfane
OR1099492-01	(2-bromophenyl) (isopropyl) sulfane
OR1085992-01	(4- (methoxymethyl) -2-methylphenyl) (methyl) sulfane
OR1092155-01	(4-bromophenyl) (2-nitrophenyl) sulfane
OR1097120-01	(4-bromophenyl) (2-chloroethyl) sulfane
OR1045247-01	(4-Bromophenyl) (2,2-diethoxyethyl) sulfane
OR79398-01	(2-Bromophenyl) (2,4-dimethylphenyl) sulfane
PC1019873-01	(4-fluoro-2- (methoxymethyl) phenyl) (methyl) sulfane
PC1020695-01	(2- (methoxymethyl) -4- (trifluoromethyl) phenyl) (methyl) sulfane

Catalog	Name
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