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1595952-05-8 | 5-(2,2-dimethylthiomorpholin-4-yl)furan-2-carbaldehyde
CAS No: 1595952-05-8 Catalog No: AG01C8L0 MDL No:
Product Description
Catalog Number:
AG01C8L0
Chemical Name:
5-(2,2-dimethylthiomorpholin-4-yl)furan-2-carbaldehyde
CAS Number:
1595952-05-8
Molecular Formula:
C11H15NO2S
Molecular Weight:
225.3073
IUPAC Name:
5-(2,2-dimethylthiomorpholin-4-yl)furan-2-carbaldehyde
InChI:
InChI=1S/C11H15NO2S/c1-11(2)8-12(5-6-15-11)10-4-3-9(7-13)14-10/h3-4,7H,5-6,8H2,1-2H3
InChI Key:
PLDRZAGEBJSXDK-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(o1)N1CCSC(C1)(C)C
Properties
Complexity:
245
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:
0
Isotope Atom Count:
0
Molecular Weight:
225.306g/mol
Monoisotopic Mass:
225.082g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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