Home Aminos 1-[4-(methylsulfanyl)phenoxy]-3-(propylamino)propan-2-ol

1-[4-(methylsulfanyl)phenoxy]-3-(propylamino)propan-2-ol

CAS No.:
1408361-21-6
Catalog Number:
AG01C2SR
Molecular Formula:
C13H21NO2S
Molecular Weight:
255.3763
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Product Description
Catalog Number:
AG01C2SR
Chemical Name:
1-[4-(methylsulfanyl)phenoxy]-3-(propylamino)propan-2-ol
CAS Number:
1408361-21-6
Molecular Formula:
C13H21NO2S
Molecular Weight:
255.3763
MDL Number:
MFCD18993175
IUPAC Name:
1-(4-methylsulfanylphenoxy)-3-(propylamino)propan-2-ol
InChI:
InChI=1S/C13H21NO2S/c1-3-8-14-9-11(15)10-16-12-4-6-13(17-2)7-5-12/h4-7,11,14-15H,3,8-10H2,1-2H3
InChI Key:
MUBMYWLYGVDRTB-UHFFFAOYSA-N
SMILES:
CCCNCC(COc1ccc(cc1)SC)O
Properties
Complexity:
184  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.129g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
255.376g/mol
Monoisotopic Mass:
255.129g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties