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Home > Pyridines > 107348-49-2
107348-49-2 | 4-methyl-4-(pyridin-2-yldisulfanyl)pentanoic acid
CAS No: 107348-49-2 Catalog No: AG01DHWV MDL No:MFCD27935396
Product Description
Catalog Number:
AG01DHWV
Chemical Name:
4-methyl-4-(pyridin-2-yldisulfanyl)pentanoic acid
CAS Number:
107348-49-2
Molecular Formula:
C11H15NO2S2
Molecular Weight:
257.3723
MDL Number:
MFCD27935396
IUPAC Name:
4-methyl-4-(pyridin-2-yldisulfanyl)pentanoic acid
InChI:
InChI=1S/C11H15NO2S2/c1-11(2,7-6-10(13)14)16-15-9-5-3-4-8-12-9/h3-5,8H,6-7H2,1-2H3,(H,13,14)
InChI Key:
FCKSMEZVBFTODF-UHFFFAOYSA-N
SMILES:
OC(=O)CCC(SSc1ccccn1)(C)C
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.054g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.366g/mol
Monoisotopic Mass:
257.054g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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