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20063-35-8 | o-Cresol, α,α'-[2-(2-thienyl)-1,3-imidazolidinediyl]di- (8CI)
CAS No: 20063-35-8 Catalog No: AG002CWD MDL No:
Product Description
Catalog Number:
AG002CWD
Chemical Name:
o-Cresol, α,α'-[2-(2-thienyl)-1,3-imidazolidinediyl]di- (8CI)
CAS Number:
20063-35-8
Molecular Formula:
C21H22N2O2S
Molecular Weight:
366.4766
IUPAC Name:
2-[[3-[(2-hydroxyphenyl)methyl]-2-thiophen-2-ylimidazolidin-1-yl]methyl]phenol
InChI:
InChI=1S/C21H22N2O2S/c24-18-8-3-1-6-16(18)14-22-11-12-23(21(22)20-10-5-13-26-20)15-17-7-2-4-9-19(17)25/h1-10,13,21,24-25H,11-12,14-15H2
InChI Key:
UHUSESCQLLQOJZ-UHFFFAOYSA-N
SMILES:
Oc1ccccc1CN1CCN(C1c1cccs1)Cc1ccccc1O
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.14g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
366.479g/mol
Monoisotopic Mass:
366.14g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
75.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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