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82257-12-3 | Pyridine, 3-bromo-4-(methylthio)-
CAS No: 82257-12-3 Catalog No: AG0055ZN MDL No:
Product Description
Catalog Number:
AG0055ZN
Chemical Name:
Pyridine, 3-bromo-4-(methylthio)-
CAS Number:
82257-12-3
Molecular Formula:
C6H6BrNS
Molecular Weight:
204.0875
IUPAC Name:
3-bromo-4-methylsulfanylpyridine
InChI:
InChI=1S/C6H6BrNS/c1-9-6-2-3-8-4-5(6)7/h2-4H,1H3
InChI Key:
MPCMMFVVWYYGRG-UHFFFAOYSA-N
SMILES:
CSc1ccncc1Br
Properties
Complexity:
89.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.94g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.085g/mol
Monoisotopic Mass:
202.94g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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