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Home > Pyridines > 1221723-80-3
1221723-80-3 | 2-methanesulfonylpyridine-4-carbothioamide
CAS No: 1221723-80-3 Catalog No: AG019R6Y MDL No:MFCD14705916
Product Description
Catalog Number:
AG019R6Y
Chemical Name:
2-methanesulfonylpyridine-4-carbothioamide
CAS Number:
1221723-80-3
Molecular Formula:
C7H8N2O2S2
Molecular Weight:
216.2806
MDL Number:
MFCD14705916
IUPAC Name:
2-methylsulfonylpyridine-4-carbothioamide
InChI:
InChI=1S/C7H8N2O2S2/c1-13(10,11)6-4-5(7(8)12)2-3-9-6/h2-4H,1H3,(H2,8,12)
InChI Key:
LFQXYZAWRWHGSY-UHFFFAOYSA-N
SMILES:
NC(=S)c1ccnc(c1)S(=O)(=O)C
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.003g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.273g/mol
Monoisotopic Mass:
216.003g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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