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886-26-0 | 4-Imidazolidinone,5-[(4-hydroxyphenyl)methyl]-3-methyl-2-thioxo-
CAS No: 886-26-0 Catalog No: AG004A3Y MDL No:
Product Description
Catalog Number:
AG004A3Y
Chemical Name:
4-Imidazolidinone,5-[(4-hydroxyphenyl)methyl]-3-methyl-2-thioxo-
CAS Number:
886-26-0
Molecular Formula:
C13H17N3O4S
Molecular Weight:
311.3568
IUPAC Name:
5-[(4-hydroxyphenyl)methyl]-3-methyl-2-sulfanylideneimidazolidin-4-one
InChI:
InChI=1S/C11H12N2O2S/c1-13-10(15)9(12-11(13)16)6-7-2-4-8(14)5-3-7/h2-5,9,14H,6H2,1H3,(H,12,16)
InChI Key:
VYIBESPZQFAJRM-UHFFFAOYSA-N
SMILES:
OC(=O)C(Cc1ccc(cc1)O)N.O=C1NC(=S)N(C1)C
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.062g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
236.289g/mol
Monoisotopic Mass:
236.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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