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89623-57-4 | Urea, [4-(1,4,5,6-tetrahydro-6-thioxo-3-pyridazinyl)phenyl]-
CAS No: 89623-57-4 Catalog No: AG003X8P MDL No:
Product Description
Catalog Number:
AG003X8P
Chemical Name:
Urea, [4-(1,4,5,6-tetrahydro-6-thioxo-3-pyridazinyl)phenyl]-
CAS Number:
89623-57-4
Molecular Formula:
C11H12N4OS
Molecular Weight:
248.3042
IUPAC Name:
[4-(6-sulfanylidene-4,5-dihydro-1H-pyridazin-3-yl)phenyl]urea
InChI:
InChI=1S/C11H12N4OS/c12-11(16)13-8-3-1-7(2-4-8)9-5-6-10(17)15-14-9/h1-4H,5-6H2,(H,15,17)(H3,12,13,16)
InChI Key:
IPWUWLQEDCAGQS-UHFFFAOYSA-N
SMILES:
NC(=O)Nc1ccc(cc1)C1=NNC(=S)CC1
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.073g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
248.304g/mol
Monoisotopic Mass:
248.073g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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