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84764-66-9 | Ethanimidamide, N,N-diethyl-N'-[(phenylamino)thioxomethyl]-
CAS No: 84764-66-9 Catalog No: AG004OWA MDL No:
Product Description
Catalog Number:
AG004OWA
Chemical Name:
Ethanimidamide, N,N-diethyl-N'-[(phenylamino)thioxomethyl]-
CAS Number:
84764-66-9
Molecular Formula:
C13H19N3S
Molecular Weight:
249.3751
IUPAC Name:
1-[1-(diethylamino)ethylidene]-3-phenylthiourea
InChI:
InChI=1S/C13H19N3S/c1-4-16(5-2)11(3)14-13(17)15-12-9-7-6-8-10-12/h6-10H,4-5H2,1-3H3,(H,15,17)
InChI Key:
HTBQSWLPWJFGNP-UHFFFAOYSA-N
SMILES:
CCN(C(=NC(=S)Nc1ccccc1)C)CC
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.13g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.376g/mol
Monoisotopic Mass:
249.13g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.5
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