Home Other Building Blocks 4-acetyl-1lambda6-thiane-1,1-dione

4-acetyl-1lambda6-thiane-1,1-dione

CAS No.:
473254-30-7
Catalog Number:
AG01AFTT
Molecular Formula:
C7H12O3S
Molecular Weight:
176.2334
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Product Description
Catalog Number:
AG01AFTT
Chemical Name:
4-acetyl-1lambda6-thiane-1,1-dione
CAS Number:
473254-30-7
Molecular Formula:
C7H12O3S
Molecular Weight:
176.2334
MDL Number:
MFCD21775912
IUPAC Name:
1-(1,1-dioxothian-4-yl)ethanone
InChI:
InChI=1S/C7H12O3S/c1-6(8)7-2-4-11(9,10)5-3-7/h7H,2-5H2,1H3
InChI Key:
LQAIPLKHRUJIPH-UHFFFAOYSA-N
SMILES:
CC(=O)C1CCS(=O)(=O)CC1
Properties
Complexity:
233  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.051g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.23g/mol
Monoisotopic Mass:
176.051g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Properties