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80746-49-2 | Thiophene, 2-[(4-methylphenyl)ethynyl]-
CAS No: 80746-49-2 Catalog No: AG0058BL MDL No:
Product Description
Catalog Number:
AG0058BL
Chemical Name:
Thiophene, 2-[(4-methylphenyl)ethynyl]-
CAS Number:
80746-49-2
Molecular Formula:
C13H10S
Molecular Weight:
198.2835
IUPAC Name:
2-[2-(4-methylphenyl)ethynyl]thiophene
InChI:
InChI=1S/C13H10S/c1-11-4-6-12(7-5-11)8-9-13-3-2-10-14-13/h2-7,10H,1H3
InChI Key:
HQCAKBZFSYMUGL-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C#Cc1cccs1
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.05g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.283g/mol
Monoisotopic Mass:
198.05g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
Literature
| Title | Journal |
|---|---|
| Facile synthesis of substituted thiophenes via Pd/C-mediated sonogashira coupling in water. | Bioorganic & medicinal chemistry letters 20061215 |
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