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88149-91-1 | Thiophene, 5-bromo-3-(4-methoxyphenyl)-2-[4-(methylthio)phenyl]-
CAS No: 88149-91-1 Catalog No: AG004ECM MDL No:
Product Description
Catalog Number:
AG004ECM
Chemical Name:
Thiophene, 5-bromo-3-(4-methoxyphenyl)-2-[4-(methylthio)phenyl]-
CAS Number:
88149-91-1
Molecular Formula:
C18H15BrOS2
Molecular Weight:
391.3451
IUPAC Name:
5-bromo-3-(4-methoxyphenyl)-2-(4-methylsulfanylphenyl)thiophene
InChI:
InChI=1S/C18H15BrOS2/c1-20-14-7-3-12(4-8-14)16-11-17(19)22-18(16)13-5-9-15(21-2)10-6-13/h3-11H,1-2H3
InChI Key:
ADWGPFMBBDLYLP-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1cc(sc1c1ccc(cc1)SC)Br
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
389.975g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
391.341g/mol
Monoisotopic Mass:
389.975g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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