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143811-19-2 | Benzenecarbothioamide, N-[4,5-dihydro-5-(1,2,2,2-tetrafluoroethylidene)-4,4-bis(trifluoromethyl)-2-thiazolyl]-4-(trifluoromethyl)-
CAS No: 143811-19-2 Catalog No: AG001IEH MDL No:
Product Description
Catalog Number:
AG001IEH
Chemical Name:
Benzenecarbothioamide, N-[4,5-dihydro-5-(1,2,2,2-tetrafluoroethylidene)-4,4-bis(trifluoromethyl)-2-thiazolyl]-4-(trifluoromethyl)-
CAS Number:
143811-19-2
Molecular Formula:
C15H5F13N2S2
Molecular Weight:
524.3228
IUPAC Name:
N-[(5E)-5-(1,2,2,2-tetrafluoroethylidene)-4,4-bis(trifluoromethyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzenecarbothioamide
InChI:
InChI=1S/C15H5F13N2S2/c16-7(13(20,21)22)8-11(14(23,24)25,15(26,27)28)30-10(32-8)29-9(31)5-1-3-6(4-2-5)12(17,18)19/h1-4H,(H,29,30,31)/b8-7+
InChI Key:
FVEVOPNRFOBVBL-BQYQJAHWSA-N
SMILES:
S=C(c1ccc(cc1)C(F)(F)F)NC1=NC(C(=C(C(F)(F)F)F)S1)(C(F)(F)F)C(F)(F)F
Properties
Complexity:
782
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
523.969g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
16
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
524.318g/mol
Monoisotopic Mass:
523.969g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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