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522607-46-1 | 2-(5-mercaptopentyl)isoindoline-1,3-dione
CAS No: 522607-46-1 Catalog No: AG01EBMZ MDL No:MFCD25578306
Product Description
Catalog Number:
AG01EBMZ
Chemical Name:
2-(5-mercaptopentyl)isoindoline-1,3-dione
CAS Number:
522607-46-1
Molecular Formula:
C13H15NO2S
Molecular Weight:
249.3287
MDL Number:
MFCD25578306
IUPAC Name:
2-(5-sulfanylpentyl)isoindole-1,3-dione
InChI:
InChI=1S/C13H15NO2S/c15-12-10-6-2-3-7-11(10)13(16)14(12)8-4-1-5-9-17/h2-3,6-7,17H,1,4-5,8-9H2
InChI Key:
ZPKDSHNYTKSTHY-UHFFFAOYSA-N
SMILES:
SCCCCCN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.082g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.328g/mol
Monoisotopic Mass:
249.082g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
38.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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