(2-Ethoxy-3-iodophenyl) (methyl) sulfane

CAT: 0127-OR1089455-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1089455-01Size:250 mg

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CAS Number

2755723-85-2

MDL Number

MFCD34759397

Purity

97%

Smiles

C1 (cccc (c1OCC) SC) I

Chemical Information

(2-Ethoxy-3-iodophenyl)(methyl)sulfane

CAS Number	2755723-85-2
PubChem CID	164893492
IUPAC Name	2-ethoxy-1-iodo-3-methylsulfanylbenzene
Molecular Formula	C9H11IOS
Molecular Weight	294.15
XLogP	3.4
Topological Polar Surface Area	34.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	12
Formal Charge	0
Complexity	132

SMILES

CCOC1=C(C=CC=C1I)SC

InChI

InChI=1S/C9H11IOS/c1-3-11-9-7(10)5-4-6-8(9)12-2/h4-6H,3H2,1-2H3

InChIKey

CFBJOQXHKMUZRT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2755723-85-2

CID: 164893492

Formula: C9H11IOS

MW: 294.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	294.15
XLogP3	3.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	293.95753
Monoisotopic Mass	293.95753
Topological Polar Surface Area	34.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	132
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
OR1090162-01	(3-Ethoxy-5-iodophenyl) (methyl) sulfane
PC1017101-01	(3-Ethoxy-2-fluoro-5-iodophenyl) (methyl) sulfane
PC1017020-01	(3-Ethoxy-6-fluoro-2-iodophenyl) (methyl) sulfane
PC1017125-01	(4-Ethoxy-3-fluoro-2-iodophenyl) (methyl) sulfane
PC1017102-01	(3-Ethoxy-2-fluoro-6-iodophenyl) (methyl) sulfane
OR1096711-01	(3-iodophenyl) (methyl) sulfane
PC1013457-01	(3-fluoro-2-iodophenyl) (methyl) sulfane
PC1011856-01	(2-Fluoro-3-iodophenyl) (methyl) sulfane
OR1086075	(2-Chloro-3-iodophenyl) (methyl) sulfane
OR1097764-01	(2,4-dichloro-3-iodophenyl) (methyl) sulfane

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