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3779-27-9 | [2,2'-Bithiophene]-5-carbaldehyde
CAS No: 3779-27-9 Catalog No: AG003CQZ MDL No:MFCD00052294
Product Description
Catalog Number:
AG003CQZ
Chemical Name:
[2,2'-Bithiophene]-5-carbaldehyde
CAS Number:
3779-27-9
Molecular Formula:
C9H6OS2
Molecular Weight:
194.2733
MDL Number:
MFCD00052294
IUPAC Name:
5-thiophen-2-ylthiophene-2-carbaldehyde
InChI:
InChI=1S/C9H6OS2/c10-6-7-3-4-9(12-7)8-2-1-5-11-8/h1-6H
InChI Key:
FYBWRAXKYXTOQC-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(s1)c1cccs1
NSC Number:
630688
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.986g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.266g/mol
Monoisotopic Mass:
193.986g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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