Home Other Building Blocks 2-(Trifluoromethyl)benzothioamide

2-(Trifluoromethyl)benzothioamide

CAS No.:
886496-67-9
Catalog Number:
AG0048Y8
Molecular Formula:
C8H6F3NS
Molecular Weight:
205.2001
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Product Description
Catalog Number:
AG0048Y8
Chemical Name:
2-(Trifluoromethyl)benzothioamide
CAS Number:
886496-67-9
Molecular Formula:
C8H6F3NS
Molecular Weight:
205.2001
MDL Number:
MFCD04973326
IUPAC Name:
2-(trifluoromethyl)benzenecarbothioamide
InChI:
InChI=1S/C8H6F3NS/c9-8(10,11)6-4-2-1-3-5(6)7(12)13/h1-4H,(H2,12,13)
InChI Key:
MBSSSIMORFRLOK-UHFFFAOYSA-N
SMILES:
NC(=S)c1ccccc1C(F)(F)F
Properties
Complexity:
202  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.017g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
205.198g/mol
Monoisotopic Mass:
205.017g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
58.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties