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87806-84-6 | Thiourea, N-[[2-(3-methylphenyl)-4-thiazolyl]methyl]-N'-phenyl-
CAS No: 87806-84-6 Catalog No: AG004F7G MDL No:
Product Description
Catalog Number:
AG004F7G
Chemical Name:
Thiourea, N-[[2-(3-methylphenyl)-4-thiazolyl]methyl]-N'-phenyl-
CAS Number:
87806-84-6
Molecular Formula:
C18H17N3S2
Molecular Weight:
339.4777
IUPAC Name:
1-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methyl]-3-phenylthiourea
InChI:
InChI=1S/C18H17N3S2/c1-13-6-5-7-14(10-13)17-20-16(12-23-17)11-19-18(22)21-15-8-3-2-4-9-15/h2-10,12H,11H2,1H3,(H2,19,21,22)
InChI Key:
DKYUVMKNHLDFNR-UHFFFAOYSA-N
SMILES:
S=C(Nc1ccccc1)NCc1csc(n1)c1cccc(c1)C
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.086g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
339.475g/mol
Monoisotopic Mass:
339.086g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
97.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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