Home Aminos methyl 3-{[(3-aminophenyl)methyl]sulfanyl}propanoate

methyl 3-{[(3-aminophenyl)methyl]sulfanyl}propanoate

CAS No.:
1156699-01-2
Catalog Number:
AG01AAPF
Molecular Formula:
C11H15NO2S
Molecular Weight:
225.3073
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Product Description
Catalog Number:
AG01AAPF
Chemical Name:
methyl 3-{[(3-aminophenyl)methyl]sulfanyl}propanoate
CAS Number:
1156699-01-2
Molecular Formula:
C11H15NO2S
Molecular Weight:
225.3073
MDL Number:
MFCD12092194
IUPAC Name:
methyl 3-[(3-aminophenyl)methylsulfanyl]propanoate
InChI:
InChI=1S/C11H15NO2S/c1-14-11(13)5-6-15-8-9-3-2-4-10(12)7-9/h2-4,7H,5-6,8,12H2,1H3
InChI Key:
XUAHEVOXJOUPGI-UHFFFAOYSA-N
SMILES:
COC(=O)CCSCc1cccc(c1)N
Properties
Complexity:
199  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.082g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
225.306g/mol
Monoisotopic Mass:
225.082g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
77.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties