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663955-25-7 | Ethanethioamide, N-[2-(5-ethoxy-1H-indol-3-yl)ethyl]-
CAS No: 663955-25-7 Catalog No: AG006M9P MDL No:
Product Description
Catalog Number:
AG006M9P
Chemical Name:
Ethanethioamide, N-[2-(5-ethoxy-1H-indol-3-yl)ethyl]-
CAS Number:
663955-25-7
Molecular Formula:
C14H18N2OS
Molecular Weight:
262.3705
IUPAC Name:
N-[2-(5-ethoxy-1H-indol-3-yl)ethyl]ethanethioamide
InChI:
InChI=1S/C14H18N2OS/c1-3-17-12-4-5-14-13(8-12)11(9-16-14)6-7-15-10(2)18/h4-5,8-9,16H,3,6-7H2,1-2H3,(H,15,18)
InChI Key:
ZAYCXZZASINNOA-UHFFFAOYSA-N
SMILES:
CCOc1ccc2c(c1)c(CCNC(=S)C)c[nH]2
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.114g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
262.371g/mol
Monoisotopic Mass:
262.114g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
69.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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