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2-Iodo-3-methoxythiophene

CAT: 0926-PCA43522-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-PCA43522-01Size:50 mg
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CAS Number
64435-22-9
MDL Number
MFCD18452484
Smiles
COC1=C (SC=C1) I
Molecular Formula
C5H5IOS
Molecular Weight
240.06 g/mol
Controlled
No

Chemical Information

2-Iodo-3-methoxythiophene
CAS Number64435-22-9
PubChem CID10490190
IUPAC Name2-iodo-3-methoxythiophene
Molecular FormulaC5H5IOS
Molecular Weight240.06
XLogP2.3
Topological Polar Surface Area37.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count8
Formal Charge0
Complexity78
SMILES
COC1=C(SC=C1)I
InChI
InChI=1S/C5H5IOS/c1-7-4-2-3-8-5(4)6/h2-3H,1H3
InChIKey
POVLWDRUSKHAKW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Iodo-3-methoxythiophene
CAS: 64435-22-9
CID: 10490190
Formula: C5H5IOS
MW: 240.06
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight240.06
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass239.91058
Monoisotopic Mass239.91058
Topological Polar Surface Area37.5 Ų
Heavy Atom Count8
Formal Charge0
Complexity78.8
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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