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700375-14-0 | 2-Imidazolidinethione, 1,3-bis[2,5-bis(1,1-dimethylethyl)phenyl]-
CAS No: 700375-14-0 Catalog No: AG005REU MDL No:
Product Description
Catalog Number:
AG005REU
Chemical Name:
2-Imidazolidinethione, 1,3-bis[2,5-bis(1,1-dimethylethyl)phenyl]-
CAS Number:
700375-14-0
Molecular Formula:
C31H46N2S
Molecular Weight:
478.7753
IUPAC Name:
1,3-bis(2,5-ditert-butylphenyl)imidazolidine-2-thione
InChI:
InChI=1S/C31H46N2S/c1-28(2,3)21-13-15-23(30(7,8)9)25(19-21)32-17-18-33(27(32)34)26-20-22(29(4,5)6)14-16-24(26)31(10,11)12/h13-16,19-20H,17-18H2,1-12H3
InChI Key:
MIYQLVGLZSMONN-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1N1CCN(C1=S)c1cc(ccc1C(C)(C)C)C(C)(C)C)C(C)(C)C)(C)C
Properties
Complexity:
654
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
478.338g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
478.783g/mol
Monoisotopic Mass:
478.338g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
38.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.9
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