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Home > Fluorides > 119284-05-8
119284-05-8 | 2-Pyridinecarbothioamide, N-(3,5-difluorophenyl)-
CAS No: 119284-05-8 Catalog No: AG000IIW MDL No:
Product Description
Catalog Number:
AG000IIW
Chemical Name:
2-Pyridinecarbothioamide, N-(3,5-difluorophenyl)-
CAS Number:
119284-05-8
Molecular Formula:
C12H8F2N2S
Molecular Weight:
250.2671
IUPAC Name:
N-(3,5-difluorophenyl)pyridine-2-carbothioamide
InChI:
InChI=1S/C12H8F2N2S/c13-8-5-9(14)7-10(6-8)16-12(17)11-3-1-2-4-15-11/h1-7H,(H,16,17)
InChI Key:
AANZPLWMKOLXIU-UHFFFAOYSA-N
SMILES:
Fc1cc(cc(c1)F)NC(=S)c1ccccn1
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.038g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.267g/mol
Monoisotopic Mass:
250.038g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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