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1564649-89-3 | 4-(1,1-dioxo-1lambda6-thiomorpholin-4-yl)thiophene-2-carbaldehyde
CAS No: 1564649-89-3 Catalog No: AG01C8RL MDL No:MFCD26866348
Product Description
Catalog Number:
AG01C8RL
Chemical Name:
4-(1,1-dioxo-1lambda6-thiomorpholin-4-yl)thiophene-2-carbaldehyde
CAS Number:
1564649-89-3
Molecular Formula:
C9H11NO3S2
Molecular Weight:
245.3185
MDL Number:
MFCD26866348
IUPAC Name:
4-(1,1-dioxo-1,4-thiazinan-4-yl)thiophene-2-carbaldehyde
InChI:
InChI=1S/C9H11NO3S2/c11-6-9-5-8(7-14-9)10-1-3-15(12,13)4-2-10/h5-7H,1-4H2
InChI Key:
UWZAQBSNDZVWLD-UHFFFAOYSA-N
SMILES:
O=Cc1scc(c1)N1CCS(=O)(=O)CC1
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.018g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.311g/mol
Monoisotopic Mass:
245.018g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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