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5066-94-4 | PTH-ISOLEUCINE
CAS No: 5066-94-4 Catalog No: AG003U0J MDL No:MFCD00057213
Product Description
Catalog Number:
AG003U0J
Chemical Name:
PTH-ISOLEUCINE
CAS Number:
5066-94-4
MDL Number:
MFCD00057213
IUPAC Name:
5-butan-2-yl-3-phenyl-2-sulfanylideneimidazolidin-4-one
InChI:
InChI=1S/C13H16N2OS/c1-3-9(2)11-12(16)15(13(17)14-11)10-7-5-4-6-8-10/h4-9,11H,3H2,1-2H3,(H,14,17)
InChI Key:
NMRFWXLNHGJLIU-UHFFFAOYSA-N
EC Number:
225-771-2
NSC Number:
96423
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.098g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.344g/mol
Monoisotopic Mass:
248.098g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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