Home Aminos 2-{3-[1-(methylamino)ethyl]phenyl}-1,2-thiazolidine-1,1-dione

2-{3-[1-(methylamino)ethyl]phenyl}-1,2-thiazolidine-1,1-dione

CAS No.:
1155097-03-2
Catalog Number:
AG01AF7D
Molecular Formula:
C12H18N2O2S
Molecular Weight:
254.3485
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Product Description
Catalog Number:
AG01AF7D
Chemical Name:
2-{3-[1-(methylamino)ethyl]phenyl}-1,2-thiazolidine-1,1-dione
CAS Number:
1155097-03-2
Molecular Formula:
C12H18N2O2S
Molecular Weight:
254.3485
MDL Number:
MFCD12107083
IUPAC Name:
1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-methylethanamine
InChI:
InChI=1S/C12H18N2O2S/c1-10(13-2)11-5-3-6-12(9-11)14-7-4-8-17(14,15)16/h3,5-6,9-10,13H,4,7-8H2,1-2H3
InChI Key:
AGCBTVPOGKFJMO-UHFFFAOYSA-N
SMILES:
CNC(c1cccc(c1)N1CCCS1(=O)=O)C
Properties
Complexity:
350  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.109g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
254.348g/mol
Monoisotopic Mass:
254.109g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties