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79109-72-1 | Thiophene, 2,5-diethynyl-
CAS No: 79109-72-1 Catalog No: AG0053IH MDL No:
Product Description
Catalog Number:
AG0053IH
Chemical Name:
Thiophene, 2,5-diethynyl-
CAS Number:
79109-72-1
Molecular Formula:
C8H4S
Molecular Weight:
132.1824
IUPAC Name:
2,5-diethynylthiophene
InChI:
InChI=1S/C8H4S/c1-3-7-5-6-8(4-2)9-7/h1-2,5-6H
InChI Key:
RFMSIVGKBOVYMW-UHFFFAOYSA-N
SMILES:
C#Cc1ccc(s1)C#C
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
132.003g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
132.18g/mol
Monoisotopic Mass:
132.003g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Reactivity of the 16e (p-cymene)Ru half-sandwich complex containing a chelating 1,2-dicarba-closo-dodecaborane-1,2-dithiolate ligand towards diynes. | Dalton transactions (Cambridge, England : 2003) 20110714 |
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