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Home > Fluorides > 317319-15-6
317319-15-6 | 3,5-Bis(trifluoromethyl)benzothioamide
CAS No: 317319-15-6 Catalog No: AG003IKH MDL No:MFCD00278692
Product Description
Catalog Number:
AG003IKH
Chemical Name:
3,5-Bis(trifluoromethyl)benzothioamide
CAS Number:
317319-15-6
Molecular Formula:
C9H5F6NS
Molecular Weight:
273.1981
MDL Number:
MFCD00278692
IUPAC Name:
3,5-bis(trifluoromethyl)benzenecarbothioamide
InChI:
InChI=1S/C9H5F6NS/c10-8(11,12)5-1-4(7(16)17)2-6(3-5)9(13,14)15/h1-3H,(H2,16,17)
InChI Key:
OWYYZIVORPIBPZ-UHFFFAOYSA-N
SMILES:
NC(=S)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.005g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.196g/mol
Monoisotopic Mass:
273.005g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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