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1060-92-0 | 1,3-Bis[3,5-bis(trifluoromethyl)phenyl]thiourea
CAS No: 1060-92-0 Catalog No: AG0032LC MDL No:MFCD00829878
Product Description
Catalog Number:
AG0032LC
Chemical Name:
1,3-Bis[3,5-bis(trifluoromethyl)phenyl]thiourea
CAS Number:
1060-92-0
Molecular Formula:
C17H8F12N2S
Molecular Weight:
500.3047
MDL Number:
MFCD00829878
IUPAC Name:
1,3-bis[3,5-bis(trifluoromethyl)phenyl]thiourea
InChI:
InChI=1S/C17H8F12N2S/c18-14(19,20)7-1-8(15(21,22)23)4-11(3-7)30-13(32)31-12-5-9(16(24,25)26)2-10(6-12)17(27,28)29/h1-6H,(H2,30,31,32)
InChI Key:
RWXWQJYJWJNJNW-UHFFFAOYSA-N
SMILES:
S=C(Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Properties
Complexity:
556
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
500.022g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
13
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
500.306g/mol
Monoisotopic Mass:
500.022g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
Literature
| Title | Journal |
|---|---|
| The first organocatalytic carbonyl-ene reaction: isomerisation-free C-C bond formations catalysed by H-bonding thio-ureas. | Beilstein journal of organic chemistry 20070101 |
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