Home Other Building Blocks 2-(trifluoromethyl)pyridine-4-carbothioamide

2-(trifluoromethyl)pyridine-4-carbothioamide

CAS No.:
1256809-20-7
Catalog Number:
AG01BBE8
Molecular Formula:
C7H5F3N2S
Molecular Weight:
206.1882
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Product Description
Catalog Number:
AG01BBE8
Chemical Name:
2-(trifluoromethyl)pyridine-4-carbothioamide
CAS Number:
1256809-20-7
Molecular Formula:
C7H5F3N2S
Molecular Weight:
206.1882
MDL Number:
MFCD18259408
IUPAC Name:
2-(trifluoromethyl)pyridine-4-carbothioamide
InChI:
InChI=1S/C7H5F3N2S/c8-7(9,10)5-3-4(6(11)13)1-2-12-5/h1-3H,(H2,11,13)
InChI Key:
RSEKKUYNUNVMGU-UHFFFAOYSA-N
SMILES:
NC(=S)c1ccnc(c1)C(F)(F)F
Properties
Complexity:
204  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.013g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
206.186g/mol
Monoisotopic Mass:
206.013g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
71A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties