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2982-87-8 | Thiourea, N-[4-(4-methylphenyl)-2-thiazolyl]-N'-phenyl-
CAS No: 2982-87-8 Catalog No: AG007K4E MDL No:
Product Description
Catalog Number:
AG007K4E
Chemical Name:
Thiourea, N-[4-(4-methylphenyl)-2-thiazolyl]-N'-phenyl-
CAS Number:
2982-87-8
Molecular Formula:
C17H15N3S2
Molecular Weight:
325.4511
IUPAC Name:
1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-phenylthiourea
InChI:
InChI=1S/C17H15N3S2/c1-12-7-9-13(10-8-12)15-11-22-17(19-15)20-16(21)18-14-5-3-2-4-6-14/h2-11H,1H3,(H2,18,19,20,21)
InChI Key:
GQGBJGFCNQODOY-UHFFFAOYSA-N
SMILES:
S=C(Nc1scc(n1)c1ccc(cc1)C)Nc1ccccc1
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.071g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
325.448g/mol
Monoisotopic Mass:
325.071g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
97.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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