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Home > Fluorides > 886496-67-9
886496-67-9 | 2-(Trifluoromethyl)benzothioamide
CAS No: 886496-67-9 Catalog No: AG0048Y8 MDL No:MFCD04973326
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
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