Home Other Building Blocks 1lambda4-thiepane-1,4-dione

1lambda4-thiepane-1,4-dione

CAS No.:
91195-51-6
Catalog Number:
AG01B2NV
Molecular Formula:
C6H10O2S
Molecular Weight:
146.2074
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Product Description
Catalog Number:
AG01B2NV
Chemical Name:
1lambda4-thiepane-1,4-dione
CAS Number:
91195-51-6
Molecular Formula:
C6H10O2S
Molecular Weight:
146.2074
MDL Number:
MFCD24698992
IUPAC Name:
1-oxothiepan-4-one
InChI:
InChI=1S/C6H10O2S/c7-6-2-1-4-9(8)5-3-6/h1-5H2
InChI Key:
UVADJTMBLONRLZ-UHFFFAOYSA-N
SMILES:
O=C1CCCS(=O)CC1
Properties
Complexity:
142  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.04g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
146.204g/mol
Monoisotopic Mass:
146.04g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9  
Properties