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88067-10-1 | Thiourea, (1,4-dihydro-4-oxo-6-phenyl-2-pyrimidinyl)-
CAS No: 88067-10-1 Catalog No: AG004KRB MDL No:
Product Description
Catalog Number:
AG004KRB
Chemical Name:
Thiourea, (1,4-dihydro-4-oxo-6-phenyl-2-pyrimidinyl)-
CAS Number:
88067-10-1
Molecular Formula:
C11H10N4OS
Molecular Weight:
246.2883
IUPAC Name:
(6-oxo-4-phenyl-1H-pyrimidin-2-yl)thiourea
InChI:
InChI=1S/C11H10N4OS/c12-10(17)15-11-13-8(6-9(16)14-11)7-4-2-1-3-5-7/h1-6H,(H4,12,13,14,15,16,17)
InChI Key:
FXLLEBYENFNTKN-UHFFFAOYSA-N
SMILES:
NC(=S)Nc1nc(=O)cc([nH]1)c1ccccc1
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.058g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
246.288g/mol
Monoisotopic Mass:
246.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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