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874130-13-9 | Methyl 1-Benzyl-5-thioxopyrrolidine-3-carboxylate
CAS No: 874130-13-9 Catalog No: AG01F9DV MDL No:
Product Description
Catalog Number:
AG01F9DV
Chemical Name:
Methyl 1-Benzyl-5-thioxopyrrolidine-3-carboxylate
CAS Number:
874130-13-9
Molecular Formula:
C13H15NO2S
Molecular Weight:
249.3287
IUPAC Name:
methyl 1-benzyl-5-sulfanylidenepyrrolidine-3-carboxylate
InChI:
InChI=1S/C13H15NO2S/c1-16-13(15)11-7-12(17)14(9-11)8-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3
InChI Key:
GNDZSDHDZGZERP-UHFFFAOYSA-N
SMILES:
COC(=O)C1CN(C(=S)C1)Cc1ccccc1
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.082g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.328g/mol
Monoisotopic Mass:
249.082g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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