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Home > Other Heterocycles > 87586-89-8
87586-89-8 | 4-Thia-2,6-diazabicyclo[3.2.0]heptane-3,7-dione, 1-methyl-6-phenyl-
CAS No: 87586-89-8 Catalog No: AG004M4S MDL No:
Product Description
Catalog Number:
AG004M4S
Chemical Name:
4-Thia-2,6-diazabicyclo[3.2.0]heptane-3,7-dione, 1-methyl-6-phenyl-
CAS Number:
87586-89-8
Molecular Formula:
C11H10N2O2S
Molecular Weight:
234.2743
IUPAC Name:
1-methyl-6-phenyl-4-thia-2,6-diazabicyclo[3.2.0]heptane-3,7-dione
InChI:
InChI=1S/C11H10N2O2S/c1-11-8(14)13(7-5-3-2-4-6-7)9(11)16-10(15)12-11/h2-6,9H,1H3,(H,12,15)
InChI Key:
ZZQULOVOPUGASG-UHFFFAOYSA-N
SMILES:
O=C1N(c2ccccc2)C2C1(C)NC(=O)S2
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.046g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.273g/mol
Monoisotopic Mass:
234.046g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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