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88384-14-9 | Propanethioamide, 2-[4-(1-methyl-1-phenylethyl)phenoxy]-
CAS No: 88384-14-9 Catalog No: AG004FQZ MDL No:
Product Description
Catalog Number:
AG004FQZ
Chemical Name:
Propanethioamide, 2-[4-(1-methyl-1-phenylethyl)phenoxy]-
CAS Number:
88384-14-9
Molecular Formula:
C18H21NOS
Molecular Weight:
299.4304
IUPAC Name:
2-[4-(2-phenylpropan-2-yl)phenoxy]propanethioamide
InChI:
InChI=1S/C18H21NOS/c1-13(17(19)21)20-16-11-9-15(10-12-16)18(2,3)14-7-5-4-6-8-14/h4-13H,1-3H3,(H2,19,21)
InChI Key:
NBGAWESFZPPEHE-UHFFFAOYSA-N
SMILES:
CC(C(=S)N)Oc1ccc(cc1)C(c1ccccc1)(C)C
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.134g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
299.432g/mol
Monoisotopic Mass:
299.134g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
67.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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