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88234-93-9 | Thiophene, 3-bromo-2-methoxy-5-(methylthio)-
CAS No: 88234-93-9 Catalog No: AG004CX6 MDL No:
Product Description
Catalog Number:
AG004CX6
Chemical Name:
Thiophene, 3-bromo-2-methoxy-5-(methylthio)-
CAS Number:
88234-93-9
Molecular Formula:
C6H7BrOS2
Molecular Weight:
239.1532
IUPAC Name:
3-bromo-2-methoxy-5-methylsulfanylthiophene
InChI:
InChI=1S/C6H7BrOS2/c1-8-6-4(7)3-5(9-2)10-6/h3H,1-2H3
InChI Key:
FOJLLSPMVQPDJE-UHFFFAOYSA-N
SMILES:
COc1sc(cc1Br)SC
Properties
Complexity:
112
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.912g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.145g/mol
Monoisotopic Mass:
237.912g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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