Home Carboxys 2-amino-4-[(2-amino-2-carboxyethyl)sulfanyl]butanoic acid dihydrochloride

2-amino-4-[(2-amino-2-carboxyethyl)sulfanyl]butanoic acid dihydrochloride

CAS No.:
61125-50-6
Catalog Number:
AG01C171
Molecular Formula:
C7H16Cl2N2O4S
Molecular Weight:
295.1839
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Product Description
Catalog Number:
AG01C171
Chemical Name:
2-amino-4-[(2-amino-2-carboxyethyl)sulfanyl]butanoic acid dihydrochloride
CAS Number:
61125-50-6
Molecular Formula:
C7H16Cl2N2O4S
Molecular Weight:
295.1839
MDL Number:
MFCD29041302
IUPAC Name:
2-amino-4-(2-amino-2-carboxyethyl)sulfanylbutanoic acid;dihydrochloride
InChI:
InChI=1S/C7H14N2O4S.2ClH/c8-4(6(10)11)1-2-14-3-5(9)7(12)13;;/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13);2*1H
InChI Key:
BDKXLTOHYQEAIO-UHFFFAOYSA-N
SMILES:
NC(C(=O)O)CCSCC(C(=O)O)N.Cl.Cl
Properties
Complexity:
212  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.021g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
6  
Isotope Atom Count:
0
Molecular Weight:
295.175g/mol
Monoisotopic Mass:
294.021g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
152A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
Properties