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1251378-90-1 | 5-(THIOMORPHOLIN-4-YL)FURAN-2-CARBALDEHYDE
CAS No: 1251378-90-1 Catalog No: AG01C8IA MDL No:MFCD16685993
Product Description
Catalog Number:
AG01C8IA
Chemical Name:
5-(THIOMORPHOLIN-4-YL)FURAN-2-CARBALDEHYDE
CAS Number:
1251378-90-1
Molecular Formula:
C9H11NO2S
Molecular Weight:
197.2541
MDL Number:
MFCD16685993
IUPAC Name:
5-thiomorpholin-4-ylfuran-2-carbaldehyde
InChI:
InChI=1S/C9H11NO2S/c11-7-8-1-2-9(12-8)10-3-5-13-6-4-10/h1-2,7H,3-6H2
InChI Key:
VLZOHRRKURVPCX-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(o1)N1CCSCC1
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.051g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.252g/mol
Monoisotopic Mass:
197.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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