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1593353-53-7 | 5-(2-methylthiomorpholin-4-yl)furan-2-carbaldehyde
CAS No: 1593353-53-7 Catalog No: AG01C8IV MDL No:
Product Description
Catalog Number:
AG01C8IV
Chemical Name:
5-(2-methylthiomorpholin-4-yl)furan-2-carbaldehyde
CAS Number:
1593353-53-7
Molecular Formula:
C10H13NO2S
Molecular Weight:
211.2807
IUPAC Name:
5-(2-methylthiomorpholin-4-yl)furan-2-carbaldehyde
InChI:
InChI=1S/C10H13NO2S/c1-8-6-11(4-5-14-8)10-3-2-9(7-12)13-10/h2-3,7-8H,4-6H2,1H3
InChI Key:
TXVWFTYPCAHZDF-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(o1)N1CCSC(C1)C
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.067g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.279g/mol
Monoisotopic Mass:
211.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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