Home Other Building Blocks methyl 3-[(4-cyanophenyl)sulfanyl]propanoate

methyl 3-[(4-cyanophenyl)sulfanyl]propanoate

CAS No.:
1154018-52-6
Catalog Number:
AG01A641
Molecular Formula:
C11H11NO2S
Molecular Weight:
221.2755
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Product Description
Catalog Number:
AG01A641
Chemical Name:
methyl 3-[(4-cyanophenyl)sulfanyl]propanoate
CAS Number:
1154018-52-6
Molecular Formula:
C11H11NO2S
Molecular Weight:
221.2755
MDL Number:
MFCD12563644
IUPAC Name:
methyl 3-(4-cyanophenyl)sulfanylpropanoate
InChI:
InChI=1S/C11H11NO2S/c1-14-11(13)6-7-15-10-4-2-9(8-12)3-5-10/h2-5H,6-7H2,1H3
InChI Key:
BNPGCWYQOIQGHI-UHFFFAOYSA-N
SMILES:
COC(=O)CCSc1ccc(cc1)C#N
Properties
Complexity:
251  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.051g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.274g/mol
Monoisotopic Mass:
221.051g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties