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74982-07-3 | Thiourea, N-ethyl-N'-8-quinolinyl-
CAS No: 74982-07-3 Catalog No: AG005F1P MDL No:
Product Description
Catalog Number:
AG005F1P
Chemical Name:
Thiourea, N-ethyl-N'-8-quinolinyl-
CAS Number:
74982-07-3
Molecular Formula:
C12H13N3S
Molecular Weight:
231.3167
IUPAC Name:
1-ethyl-3-quinolin-8-ylthiourea
InChI:
InChI=1S/C12H13N3S/c1-2-13-12(16)15-10-7-3-5-9-6-4-8-14-11(9)10/h3-8H,2H2,1H3,(H2,13,15,16)
InChI Key:
MZDPRAZOZZZXTQ-UHFFFAOYSA-N
SMILES:
CCNC(=S)Nc1cccc2c1nccc2
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.083g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
231.317g/mol
Monoisotopic Mass:
231.083g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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