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119459-26-6 | Propanoic acid, 3,3'-dithiobis-, compd. with 2-aminoethanol (1:2)
CAS No: 119459-26-6 Catalog No: AG000IUG MDL No:
Product Description
Catalog Number:
AG000IUG
Chemical Name:
Propanoic acid, 3,3'-dithiobis-, compd. with 2-aminoethanol (1:2)
CAS Number:
119459-26-6
Molecular Formula:
C10H24N2O6S2
Molecular Weight:
332.4374
IUPAC Name:
2-aminoethanol;3-(2-carboxyethyldisulfanyl)propanoic acid
InChI:
InChI=1S/C6H10O4S2.2C2H7NO/c7-5(8)1-3-11-12-4-2-6(9)10;2*3-1-2-4/h1-4H2,(H,7,8)(H,9,10);2*4H,1-3H2
InChI Key:
OBJGBTROGRUPPA-UHFFFAOYSA-N
SMILES:
OC(=O)CCSSCCC(=O)O.NCCO.NCCO
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.108g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
332.43g/mol
Monoisotopic Mass:
332.108g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
218A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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