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Home > Aldehydes > 1854299-42-5
1854299-42-5 | 5-[3-(hydroxymethyl)thiomorpholin-4-yl]thiophene-2-carbaldehyde
CAS No: 1854299-42-5 Catalog No: AG01C8X5 MDL No:MFCD31443367
Product Description
Catalog Number:
AG01C8X5
Chemical Name:
5-[3-(hydroxymethyl)thiomorpholin-4-yl]thiophene-2-carbaldehyde
CAS Number:
1854299-42-5
Molecular Formula:
C10H13NO2S2
Molecular Weight:
243.3457
MDL Number:
MFCD31443367
IUPAC Name:
5-[3-(hydroxymethyl)thiomorpholin-4-yl]thiophene-2-carbaldehyde
InChI:
InChI=1S/C10H13NO2S2/c12-5-8-7-14-4-3-11(8)10-2-1-9(6-13)15-10/h1-2,6,8,12H,3-5,7H2
InChI Key:
XOEQDWOACYEDJS-UHFFFAOYSA-N
SMILES:
OCC1CSCCN1c1ccc(s1)C=O
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.039g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.339g/mol
Monoisotopic Mass:
243.039g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
94.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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