Home Other Building Blocks methyl 3-{[(2-methoxyphenyl)methyl]sulfanyl}propanoate

methyl 3-{[(2-methoxyphenyl)methyl]sulfanyl}propanoate

CAS No.:
180044-50-2
Catalog Number:
AG01A5T1
Molecular Formula:
C12H16O3S
Molecular Weight:
240.3186
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Product Description
Catalog Number:
AG01A5T1
Chemical Name:
methyl 3-{[(2-methoxyphenyl)methyl]sulfanyl}propanoate
CAS Number:
180044-50-2
Molecular Formula:
C12H16O3S
Molecular Weight:
240.3186
MDL Number:
MFCD25371620
IUPAC Name:
methyl 3-[(2-methoxyphenyl)methylsulfanyl]propanoate
InChI:
InChI=1S/C12H16O3S/c1-14-11-6-4-3-5-10(11)9-16-8-7-12(13)15-2/h3-6H,7-9H2,1-2H3
InChI Key:
OAIIBSHZBZIRKV-UHFFFAOYSA-N
SMILES:
COC(=O)CCSCc1ccccc1OC
Properties
Complexity:
208  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.082g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.317g/mol
Monoisotopic Mass:
240.082g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties