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137090-20-1

137090-20-1 | L-Proline, 1-[(methylthio)-1-pyrrolidinylphosphinyl]-, ethyl ester, (S)- (9CI)

CAS No: 137090-20-1 Catalog No: AG0012U3 MDL No:

Product Description

Catalog Number:
AG0012U3
Chemical Name:
L-Proline, 1-[(methylthio)-1-pyrrolidinylphosphinyl]-, ethyl ester, (S)- (9CI)
CAS Number:
137090-20-1
Molecular Formula:
C12H23N2O3PS
Molecular Weight:
306.3614
IUPAC Name:
ethyl (2S)-1-[methylsulfanyl(pyrrolidin-1-yl)phosphoryl]pyrrolidine-2-carboxylate
InChI:
InChI=1S/C12H23N2O3PS/c1-3-17-12(15)11-7-6-10-14(11)18(16,19-2)13-8-4-5-9-13/h11H,3-10H2,1-2H3/t11-,18?/m0/s1
InChI Key:
HQIMAHNKQPDYJH-FAQQKDIKSA-N
SMILES:
CCOC(=O)[C@@H]1CCCN1P(=O)(N1CCCC1)SC

Properties

Complexity:
374  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
306.117g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.361g/mol
Monoisotopic Mass:
306.117g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
75.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

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