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88061-57-8 | L-Alanine, N-[(5-bromo-1-naphthalenyl)thioxomethyl]-N-methyl-
CAS No: 88061-57-8 Catalog No: AG004FG2 MDL No:
Product Description
Catalog Number:
AG004FG2
Chemical Name:
L-Alanine, N-[(5-bromo-1-naphthalenyl)thioxomethyl]-N-methyl-
CAS Number:
88061-57-8
Molecular Formula:
C15H14BrNO2S
Molecular Weight:
352.2462
IUPAC Name:
(2S)-2-[(5-bromonaphthalene-1-carbothioyl)-methylamino]propanoic acid
InChI:
InChI=1S/C15H14BrNO2S/c1-9(15(18)19)17(2)14(20)12-7-3-6-11-10(12)5-4-8-13(11)16/h3-9H,1-2H3,(H,18,19)/t9-/m0/s1
InChI Key:
ZDNOPXFOOGVVFM-VIFPVBQESA-N
SMILES:
OC(=O)[C@@H](N(C(=S)c1cccc2c1cccc2Br)C)C
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
350.993g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
352.246g/mol
Monoisotopic Mass:
350.993g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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