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144990-47-6 | Thiourea, N-[3-methyl-5-(2-phenylethenyl)-4-isoxazolyl]-N'-phenyl-
CAS No: 144990-47-6 Catalog No: AG001KF6 MDL No:
Product Description
Catalog Number:
AG001KF6
Chemical Name:
Thiourea, N-[3-methyl-5-(2-phenylethenyl)-4-isoxazolyl]-N'-phenyl-
CAS Number:
144990-47-6
Molecular Formula:
C19H17N3OS
Molecular Weight:
335.4228
IUPAC Name:
1-[3-methyl-5-(2-phenylethenyl)-1,2-oxazol-4-yl]-3-phenylthiourea
InChI:
InChI=1S/C19H17N3OS/c1-14-18(21-19(24)20-16-10-6-3-7-11-16)17(23-22-14)13-12-15-8-4-2-5-9-15/h2-13H,1H3,(H2,20,21,24)
InChI Key:
MBGLGYZKKPBNEJ-UHFFFAOYSA-N
SMILES:
S=C(Nc1c(C)noc1C=Cc1ccccc1)Nc1ccccc1
Properties
Complexity:
430
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.109g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
335.425g/mol
Monoisotopic Mass:
335.109g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
82.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.2
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