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119005-24-2 | 2-Azetidinone, 4-(2-pyrimidinylthio)-
CAS No: 119005-24-2 Catalog No: AG000P16 MDL No:
Product Description
Catalog Number:
AG000P16
Chemical Name:
2-Azetidinone, 4-(2-pyrimidinylthio)-
CAS Number:
119005-24-2
Molecular Formula:
C7H7N3OS
Molecular Weight:
181.2150
IUPAC Name:
4-pyrimidin-2-ylsulfanylazetidin-2-one
InChI:
InChI=1S/C7H7N3OS/c11-5-4-6(10-5)12-7-8-2-1-3-9-7/h1-3,6H,4H2,(H,10,11)
InChI Key:
POOXSFNFZNUVME-UHFFFAOYSA-N
SMILES:
O=C1CC(N1)Sc1ncccn1
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.031g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.213g/mol
Monoisotopic Mass:
181.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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