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77505-55-6 | 1-Imidazolidinecarboxamide, 3-(hydroxymethyl)-N-phenyl-2-thioxo-
CAS No: 77505-55-6 Catalog No: AG0059BI MDL No:
Product Description
Catalog Number:
AG0059BI
Chemical Name:
1-Imidazolidinecarboxamide, 3-(hydroxymethyl)-N-phenyl-2-thioxo-
CAS Number:
77505-55-6
Molecular Formula:
C11H13N3O2S
Molecular Weight:
251.3048
IUPAC Name:
3-(hydroxymethyl)-N-phenyl-2-sulfanylideneimidazolidine-1-carboxamide
InChI:
InChI=1S/C11H13N3O2S/c15-8-13-6-7-14(11(13)17)10(16)12-9-4-2-1-3-5-9/h1-5,15H,6-8H2,(H,12,16)
InChI Key:
CIQJZVQGFDELFL-UHFFFAOYSA-N
SMILES:
OCN1CCN(C1=S)C(=O)Nc1ccccc1
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.073g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
251.304g/mol
Monoisotopic Mass:
251.073g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
87.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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