Home Other Building Blocks 4-methyl-3-(trifluoromethyl)benzene-1-carbothioamide

4-methyl-3-(trifluoromethyl)benzene-1-carbothioamide

CAS No.:
1538699-47-6
Catalog Number:
AG01BI4S
Molecular Formula:
C9H8F3NS
Molecular Weight:
219.2267
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Product Description
Catalog Number:
AG01BI4S
Chemical Name:
4-methyl-3-(trifluoromethyl)benzene-1-carbothioamide
CAS Number:
1538699-47-6
Molecular Formula:
C9H8F3NS
Molecular Weight:
219.2267
MDL Number:
MFCD28108114
IUPAC Name:
4-methyl-3-(trifluoromethyl)benzenecarbothioamide
InChI:
InChI=1S/C9H8F3NS/c1-5-2-3-6(8(13)14)4-7(5)9(10,11)12/h2-4H,1H3,(H2,13,14)
InChI Key:
IDMHIXMMGBRRGJ-UHFFFAOYSA-N
SMILES:
NC(=S)c1ccc(c(c1)C(F)(F)F)C
Properties
Complexity:
227  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.033g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
219.225g/mol
Monoisotopic Mass:
219.033g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
58.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties