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Home > Indoles and Oxindole > 676272-69-8
676272-69-8 | Propanamide, N-[2-(1H-indol-3-yl)ethyl]-2-mercapto-
CAS No: 676272-69-8 Catalog No: AG005RXD MDL No:
Product Description
Catalog Number:
AG005RXD
Chemical Name:
Propanamide, N-[2-(1H-indol-3-yl)ethyl]-2-mercapto-
CAS Number:
676272-69-8
Molecular Formula:
C13H16N2OS
Molecular Weight:
248.3439
IUPAC Name:
N-[2-(1H-indol-3-yl)ethyl]-2-sulfanylpropanamide
InChI:
InChI=1S/C13H16N2OS/c1-9(17)13(16)14-7-6-10-8-15-12-5-3-2-4-11(10)12/h2-5,8-9,15,17H,6-7H2,1H3,(H,14,16)
InChI Key:
GTVPFKWRFVVXPT-UHFFFAOYSA-N
SMILES:
O=C(C(S)C)NCCc1c[nH]c2c1cccc2
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.098g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
248.344g/mol
Monoisotopic Mass:
248.098g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
45.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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