Home Other Building Blocks 4-acetylthiomorpholine-3-carboxamide

4-acetylthiomorpholine-3-carboxamide

CAS No.:
1862332-61-3
Catalog Number:
AG01ELL2
Molecular Formula:
C7H12N2O2S
Molecular Weight:
188.2474
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Product Description
Catalog Number:
AG01ELL2
Chemical Name:
4-acetylthiomorpholine-3-carboxamide
CAS Number:
1862332-61-3
Molecular Formula:
C7H12N2O2S
Molecular Weight:
188.2474
MDL Number:
MFCD31668736
IUPAC Name:
4-acetylthiomorpholine-3-carboxamide
InChI:
InChI=1S/C7H12N2O2S/c1-5(10)9-2-3-12-4-6(9)7(8)11/h6H,2-4H2,1H3,(H2,8,11)
InChI Key:
BEGUICQKCOGDEI-UHFFFAOYSA-N
SMILES:
CC(=O)N1CCSCC1C(=O)N
Properties
Complexity:
208  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.062g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
188.245g/mol
Monoisotopic Mass:
188.062g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
88.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9  
Properties