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832099-10-2 | Thiourea, [1-methyl-1-(4-phenoxyphenyl)ethyl]-
CAS No: 832099-10-2 Catalog No: AG004ZX1 MDL No:
Product Description
Catalog Number:
AG004ZX1
Chemical Name:
Thiourea, [1-methyl-1-(4-phenoxyphenyl)ethyl]-
CAS Number:
832099-10-2
Molecular Formula:
C16H18N2OS
Molecular Weight:
286.3919
IUPAC Name:
2-(4-phenoxyphenyl)propan-2-ylthiourea
InChI:
InChI=1S/C16H18N2OS/c1-16(2,18-15(17)20)12-8-10-14(11-9-12)19-13-6-4-3-5-7-13/h3-11H,1-2H3,(H3,17,18,20)
InChI Key:
HKDLOXBJNFIECW-UHFFFAOYSA-N
SMILES:
NC(=S)NC(c1ccc(cc1)Oc1ccccc1)(C)C
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.114g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
286.393g/mol
Monoisotopic Mass:
286.114g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
79.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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