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53515-17-6 | 3-(Trifluoromethyl)thiobenzamide
CAS No: 53515-17-6 Catalog No: AG003JX1 MDL No:MFCD01567258
Product Description
Catalog Number:
AG003JX1
Chemical Name:
3-(Trifluoromethyl)thiobenzamide
CAS Number:
53515-17-6
Molecular Formula:
C8H6F3NS
Molecular Weight:
205.2001
MDL Number:
MFCD01567258
IUPAC Name:
3-(trifluoromethyl)benzenecarbothioamide
InChI:
InChI=1S/C8H6F3NS/c9-8(10,11)6-3-1-2-5(4-6)7(12)13/h1-4H,(H2,12,13)
InChI Key:
WOJQBHSZMFRQIR-UHFFFAOYSA-N
SMILES:
NC(=S)c1cccc(c1)C(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:
2.9
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