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139933-22-5 | Methanone, 4-morpholinyl(3-phenyl-5-thioxo-1,2,4-thiadiazol-2(5H)-yl)-
CAS No: 139933-22-5 Catalog No: AG001BU9 MDL No:
Product Description
Catalog Number:
AG001BU9
Chemical Name:
Methanone, 4-morpholinyl(3-phenyl-5-thioxo-1,2,4-thiadiazol-2(5H)-yl)-
CAS Number:
139933-22-5
Molecular Formula:
C13H13N3O2S2
Molecular Weight:
307.3912
IUPAC Name:
morpholin-4-yl-(3-phenyl-5-sulfanylidene-1,2,4-thiadiazol-2-yl)methanone
InChI:
InChI=1S/C13H13N3O2S2/c17-13(15-6-8-18-9-7-15)16-11(14-12(19)20-16)10-4-2-1-3-5-10/h1-5H,6-9H2
InChI Key:
PTPIUSROGNLKJJ-UHFFFAOYSA-N
SMILES:
O=C(n1sc(=S)nc1c1ccccc1)N1CCOCC1
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.045g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.386g/mol
Monoisotopic Mass:
307.045g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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