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16531-19-4 | Benzenecarbothioamide, N-[2-(diethylamino)ethyl]-4-ethoxy-
CAS No: 16531-19-4 Catalog No: AG001W3B MDL No:
Product Description
Catalog Number:
AG001W3B
Chemical Name:
Benzenecarbothioamide, N-[2-(diethylamino)ethyl]-4-ethoxy-
CAS Number:
16531-19-4
Molecular Formula:
C15H24N2OS
Molecular Weight:
280.4289
IUPAC Name:
N-[2-(diethylamino)ethyl]-4-ethoxybenzenecarbothioamide
InChI:
InChI=1S/C15H24N2OS/c1-4-17(5-2)12-11-16-15(19)13-7-9-14(10-8-13)18-6-3/h7-10H,4-6,11-12H2,1-3H3,(H,16,19)
InChI Key:
SKSRWOIZZAZJAN-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1)C(=S)NCCN(CC)CC
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.161g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.43g/mol
Monoisotopic Mass:
280.161g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
56.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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