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17885-24-4 | L-Alanine, 3-(ethyldithio)-
CAS No: 17885-24-4 Catalog No: AG0026EO MDL No:
Product Description
Catalog Number:
AG0026EO
Chemical Name:
L-Alanine, 3-(ethyldithio)-
CAS Number:
17885-24-4
Molecular Formula:
C5H11NO2S2
Molecular Weight:
181.2763
IUPAC Name:
2-amino-3-(ethyldisulfanyl)propanoic acid
InChI:
InChI=1S/C5H11NO2S2/c1-2-9-10-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)
InChI Key:
YIMFYOCZTDBZJL-UHFFFAOYSA-N
SMILES:
CCSSC[C@@H](C(=O)O)N
NSC Number:
135126
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.023g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
181.268g/mol
Monoisotopic Mass:
181.023g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.3
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