4-Iodobenzene-1-thiol

CAT: 0926-CCA92801-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-CCA92801-01Size:50 mg

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CAS Number

52928-01-5

MDL Number

MFCD01632442

Smiles

C1=CC (=CC=C1S) I

Molecular Formula

C6H5IS

Molecular Weight

236.08 g/mol

Shipping Conditions

Dry Ice

Controlled

Chemical Information

4-Iodobenzene-1-thiol

CAS Number	52928-01-5
PubChem CID	656900
IUPAC Name	4-iodobenzenethiol
Molecular Formula	C6H5IS
Molecular Weight	236.08
XLogP	3.4
Topological Polar Surface Area	1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	8
Formal Charge	0
Complexity	66

SMILES

C1=CC(=CC=C1S)I

InChI

InChI=1S/C6H5IS/c7-5-1-3-6(8)4-2-5/h1-4,8H

InChIKey

IKZUTVQEBGHQJA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 52928-01-5

CID: 656900

Formula: C6H5IS

MW: 236.08

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	236.08
XLogP3	3.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	235.91567
Monoisotopic Mass	235.91567
Topological Polar Surface Area	1 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	66.9
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
CCA27410-01	3-Iodobenzene-1-thiol
DEC77751-01	1-Cyclobutoxy-4-iodobenzene
GGA57520-01	1- (Cyclopentyloxy) -4-iodobenzene
RDA63929-01	1-Cyclohexyl-4-iodobenzene
FC139338-01	1-Chloro-4-iodobenzene
PYB37282	1- (Difluoromethyl) -4-iodobenzene
ABA30964-01	1-Ethyl-4-iodobenzene
FB38228-01	1-Bromo-4-iodobenzene
BJB19963-01	1- (Cyclohexyloxy) -4-iodobenzene
BAA51450-01	4-Iodobenzene-1-diazonium tetrafluoroboranuide

Catalog	Name
JH357639	1-Bromo-4-iodobenzene
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PC100299-01	1- (Difluoromethyl) -4-iodobenzene
OR1097071-01	1- (cyclopentyloxy) -4-iodobenzene
OR30259-01	1-butyl-4-iodobenzene
TRC-E154451-500MG	1-Ethynyl-4-iodobenzene
sc-224615	1-Chloro-4-iodobenzene
OR1041179-01	1- (Allyloxy) -4-iodobenzene
OR1055534-01	1-Butoxy-4-iodobenzene