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3,3'-Dimethoxy-2,2'-bithiophene

CAT: 0572-TRC-D526051-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D526051-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
118583-86-1
Hazard Statement
No Data Available
Smiles
COc1ccsc1c2sccc2OC
Molecular Formula
C10 H10 O2 S2
Molecular Weight
226.315
InChI
InChI=1S/C10H10O2S2/c1-11-7-3-5-13-9(7)10-8(12-2)4-6-14-10/h3-6H,1-2H3
Additionnal Information
IUPAC name: 3-methoxy-2-(3-methoxythiophen-2-yl)thiophene
Shipping Conditions
Room Temperature

Chemical Information

3,3'-Dimethoxy-2,2'-bithiophene
CAS Number118583-86-1
PubChem CID10609306
IUPAC Name3-methoxy-2-(3-methoxythiophen-2-yl)thiophene
Molecular FormulaC10H10O2S2
Molecular Weight226.3
XLogP2.9
Topological Polar Surface Area74.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity169
SMILES
COC1=C(SC=C1)C2=C(C=CS2)OC
InChI
InChI=1S/C10H10O2S2/c1-11-7-3-5-13-9(7)10-8(12-2)4-6-14-10/h3-6H,1-2H3
InChIKey
OSRBQBIBWPRWHJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,3'-Dimethoxy-2,2'-bithiophene
CAS: 118583-86-1
CID: 10609306
Formula: C10H10O2S2
MW: 226.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight226.3
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass226.01222190
Monoisotopic Mass226.01222190
Topological Polar Surface Area74.9 Ų
Heavy Atom Count14
Formal Charge0
Complexity169
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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