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1157103-44-0 | 3-[(2-Aminoethyl)sulfanyl]-1-ethylpyrrolidine-2,5-dione
CAS No: 1157103-44-0 Catalog No: AG01FMHD MDL No:MFCD12099688
Product Description
Catalog Number:
AG01FMHD
Chemical Name:
3-[(2-Aminoethyl)sulfanyl]-1-ethylpyrrolidine-2,5-dione
CAS Number:
1157103-44-0
Molecular Formula:
C8H14N2O2S
Molecular Weight:
202.2740
MDL Number:
MFCD12099688
IUPAC Name:
3-(2-aminoethylsulfanyl)-1-ethylpyrrolidine-2,5-dione
InChI:
InChI=1S/C8H14N2O2S/c1-2-10-7(11)5-6(8(10)12)13-4-3-9/h6H,2-5,9H2,1H3
InChI Key:
NMJUUGJXQKHGBK-UHFFFAOYSA-N
SMILES:
NCCSC1CC(=O)N(C1=O)CC
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.078g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.272g/mol
Monoisotopic Mass:
202.078g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
88.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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