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88674-04-8 | Benzofuran, 2-methyl-3-[2-(methylthio)-3-thienyl]-
CAS No: 88674-04-8 Catalog No: AG0048CP MDL No:
Product Description
Catalog Number:
AG0048CP
Chemical Name:
Benzofuran, 2-methyl-3-[2-(methylthio)-3-thienyl]-
CAS Number:
88674-04-8
Molecular Formula:
C14H12OS2
Molecular Weight:
260.3745
IUPAC Name:
2-methyl-3-(2-methylsulfanylthiophen-3-yl)-1-benzofuran
InChI:
InChI=1S/C14H12OS2/c1-9-13(11-7-8-17-14(11)16-2)10-5-3-4-6-12(10)15-9/h3-8H,1-2H3
InChI Key:
HQMFUKGTVSPSLS-UHFFFAOYSA-N
SMILES:
CSc1sccc1c1c(C)oc2c1cccc2
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.033g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.369g/mol
Monoisotopic Mass:
260.033g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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