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5624-08-8

5624-08-8 | Phenylthiohydantoin-asparagine

CAS No: 5624-08-8 Catalog No: AG003TQB MDL No:

Product Description

Catalog Number:
AG003TQB
Chemical Name:
Phenylthiohydantoin-asparagine
CAS Number:
5624-08-8
IUPAC Name:
2-(5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)acetamide
InChI:
InChI=1S/C11H11N3O2S/c12-9(15)6-8-10(16)14(11(17)13-8)7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,12,15)(H,13,17)
InChI Key:
ZQGVIKNSDQBZSS-UHFFFAOYSA-N
EC Number:
227-053-4
NSC Number:
96401

Properties

Complexity:
353  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.057g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
249.288g/mol
Monoisotopic Mass:
249.057g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  

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