Home Other Building Blocks 4-(prop-2-yn-1-yl)thiomorpholine-3,5-dione

4-(prop-2-yn-1-yl)thiomorpholine-3,5-dione

CAS No.:
1565520-88-8
Catalog Number:
AG01AMR3
Molecular Formula:
C7H7NO2S
Molecular Weight:
169.2010
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Product Description
Catalog Number:
AG01AMR3
Chemical Name:
4-(prop-2-yn-1-yl)thiomorpholine-3,5-dione
CAS Number:
1565520-88-8
Molecular Formula:
C7H7NO2S
Molecular Weight:
169.2010
MDL Number:
MFCD26794948
IUPAC Name:
4-prop-2-ynylthiomorpholine-3,5-dione
InChI:
InChI=1S/C7H7NO2S/c1-2-3-8-6(9)4-11-5-7(8)10/h1H,3-5H2
InChI Key:
NIPBAVXNGNLXET-UHFFFAOYSA-N
SMILES:
C#CCN1C(=O)CSCC1=O
Properties
Complexity:
224  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.02g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.198g/mol
Monoisotopic Mass:
169.02g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties