Home Other Building Blocks 1lambda6,4-thiazepane-1,1,5-trione

1lambda6,4-thiazepane-1,1,5-trione

CAS No.:
16906-20-0
Catalog Number:
AG01AF69
Molecular Formula:
C5H9NO3S
Molecular Weight:
163.1949
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Product Description
Catalog Number:
AG01AF69
Chemical Name:
1lambda6,4-thiazepane-1,1,5-trione
CAS Number:
16906-20-0
Molecular Formula:
C5H9NO3S
Molecular Weight:
163.1949
MDL Number:
MFCD18839254
IUPAC Name:
1,1-dioxo-1,4-thiazepan-5-one
InChI:
InChI=1S/C5H9NO3S/c7-5-1-3-10(8,9)4-2-6-5/h1-4H2,(H,6,7)
InChI Key:
DNTJBUYSZPXQAJ-UHFFFAOYSA-N
SMILES:
O=C1NCCS(=O)(=O)CC1
Properties
Complexity:
226  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.03g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
163.191g/mol
Monoisotopic Mass:
163.03g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4  
Properties