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4-Phenoxythiophenol

CAT: 0024-sc-284435Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-284435Size:1 g
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CAS Number
38778-05-1

Chemical Information

4-Phenoxythiophenol
CAS Number38778-05-1
PubChem CID2760354
IUPAC Name4-phenoxybenzenethiol
Molecular FormulaC12H10OS
Molecular Weight202.27
XLogP3.9
Topological Polar Surface Area10.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity158
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)S
InChI
InChI=1S/C12H10OS/c14-12-8-6-11(7-9-12)13-10-4-2-1-3-5-10/h1-9,14H
InChIKey
VUFOTXYLUWEYFC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Phenoxythiophenol
CAS: 38778-05-1
CID: 2760354
Formula: C12H10OS
MW: 202.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight202.27
XLogP33.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass202.04523611
Monoisotopic Mass202.04523611
Topological Polar Surface Area10.2 Ų
Heavy Atom Count14
Formal Charge0
Complexity158
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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