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Home > Bromides > 1214372-31-2
1214372-31-2 | 2(1H)-Pyridinethione, 3-bromo-5-(trifluoromethyl)-
CAS No: 1214372-31-2 Catalog No: AG0014XK MDL No:MFCD13185380
Product Description
Catalog Number:
AG0014XK
Chemical Name:
2(1H)-Pyridinethione, 3-bromo-5-(trifluoromethyl)-
CAS Number:
1214372-31-2
Molecular Formula:
C6H3BrF3NS
Molecular Weight:
258.0589
MDL Number:
MFCD13185380
IUPAC Name:
3-bromo-5-(trifluoromethyl)-1H-pyridine-2-thione
InChI:
InChI=1S/C6H3BrF3NS/c7-4-1-3(6(8,9)10)2-11-5(4)12/h1-2H,(H,11,12)
InChI Key:
WYEUNHLQJJDINM-UHFFFAOYSA-N
SMILES:
S=c1[nH]cc(cc1Br)C(F)(F)F
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.912g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.056g/mol
Monoisotopic Mass:
256.912g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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