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392659-96-0 | 5-(thiomorpholin-4-ylmethyl)furan-2-carbaldehyde
CAS No: 392659-96-0 Catalog No: AG019S92 MDL No:MFCD02253945
Product Description
Catalog Number:
AG019S92
Chemical Name:
5-(thiomorpholin-4-ylmethyl)furan-2-carbaldehyde
CAS Number:
392659-96-0
Molecular Formula:
C10H13NO2S
Molecular Weight:
211.2807
MDL Number:
MFCD02253945
IUPAC Name:
5-(thiomorpholin-4-ylmethyl)furan-2-carbaldehyde
InChI:
InChI=1S/C10H13NO2S/c12-8-10-2-1-9(13-10)7-11-3-5-14-6-4-11/h1-2,8H,3-7H2
InChI Key:
YAHFFZSFLGRPSV-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(o1)CN1CCSCC1
Properties
Complexity:
195
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:
3
Topological Polar Surface Area:
58.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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