Home Aminos 2-[(3-aminophenyl)methyl]-1lambda6,2-thiazolidine-1,1-dione

2-[(3-aminophenyl)methyl]-1lambda6,2-thiazolidine-1,1-dione

CAS No.:
91761-17-0
Catalog Number:
AG01B2LJ
Molecular Formula:
C10H14N2O2S
Molecular Weight:
226.2954
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Product Description
Catalog Number:
AG01B2LJ
Chemical Name:
2-[(3-aminophenyl)methyl]-1lambda6,2-thiazolidine-1,1-dione
CAS Number:
91761-17-0
Molecular Formula:
C10H14N2O2S
Molecular Weight:
226.2954
MDL Number:
MFCD12092952
IUPAC Name:
3-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]aniline
InChI:
InChI=1S/C10H14N2O2S/c11-10-4-1-3-9(7-10)8-12-5-2-6-15(12,13)14/h1,3-4,7H,2,5-6,8,11H2
InChI Key:
MBLFIXCDPMDGKU-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)CN1CCCS1(=O)=O
Properties
Complexity:
310  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.078g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
226.294g/mol
Monoisotopic Mass:
226.078g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties