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600654-15-7 | 1-(pyridin-3-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CAS No: 600654-15-7 Catalog No: AG01A8C7 MDL No:MFCD16040015
Product Description
Catalog Number:
AG01A8C7
Chemical Name:
1-(pyridin-3-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CAS Number:
600654-15-7
Molecular Formula:
C9H7N3O2S
Molecular Weight:
221.2358
MDL Number:
MFCD16040015
IUPAC Name:
1-pyridin-3-yl-2-sulfanylidene-1,3-diazinane-4,6-dione
InChI:
InChI=1S/C9H7N3O2S/c13-7-4-8(14)12(9(15)11-7)6-2-1-3-10-5-6/h1-3,5H,4H2,(H,11,13,15)
InChI Key:
NYSWBRJPVVCZHB-UHFFFAOYSA-N
SMILES:
O=C1CC(=O)N(C(=S)N1)c1cccnc1
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.026g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.234g/mol
Monoisotopic Mass:
221.026g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
94.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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