3,3'-Bithiophene

CAT: 0024-sc-485812Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-485812Size:1 g

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CAS Number

3172-56-3

Chemical Information

3,3'-Bithiophene

CAS Number	3172-56-3
PubChem CID	76638
IUPAC Name	3-thiophen-3-ylthiophene
Molecular Formula	C8H6S2
Molecular Weight	166.3
XLogP	2.9
Topological Polar Surface Area	56.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	99

SMILES

C1=CSC=C1C2=CSC=C2

InChI

InChI=1S/C8H6S2/c1-3-9-5-7(1)8-2-4-10-6-8/h1-6H

InChIKey

IAAQEGBHNXAHBF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3172-56-3

CID: 76638

Formula: C8H6S2

MW: 166.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	166.3
XLogP3	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	165.99109254
Monoisotopic Mass	165.99109254
Topological Polar Surface Area	56.5 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	99.8
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
sc-483164	3,3'-Dibromo-2,2'-bithiophene
sc-485841	3,3'-Dihexyl-2,2'-bithiophene
sc-343400A	2,3'-bithiophene-5'-carbaldehyde
sc-343400	2,3'-bithiophene-5'-carbaldehyde
sc-485472	3,4'-Dihexyl-2,2'-bithiophene
sc-477013	3,3',5,5'-Tetrabromo-2,2'-bithiophene
sc-321969A	2,2'-Bithiophene
sc-321969	2,2'-Bithiophene
sc-485843	5,5'-Dibromo-3,3'-dihexyl-2,2'-bithiophene
sc-354001A	Methyl 5'-amino-2,3'-bithiophene-4'-carboxylate