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131309-71-2 | Ethanone, 1-[(1R,2R)-2-methyl-1-oxido-1,3-dithian-2-yl]-
CAS No: 131309-71-2 Catalog No: AG000VX3 MDL No:
Product Description
Catalog Number:
AG000VX3
Chemical Name:
Ethanone, 1-[(1R,2R)-2-methyl-1-oxido-1,3-dithian-2-yl]-
CAS Number:
131309-71-2
Molecular Formula:
C7H12O2S2
Molecular Weight:
192.2990
IUPAC Name:
1-(2-methyl-1-oxo-1,3-dithian-2-yl)ethanone
InChI:
InChI=1S/C7H12O2S2/c1-6(8)7(2)10-4-3-5-11(7)9/h3-5H2,1-2H3
InChI Key:
YKFFXILIAMVKLN-UHFFFAOYSA-N
SMILES:
O=[S@@]1CCCS[C@@]1(C)C(=O)C
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.028g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.291g/mol
Monoisotopic Mass:
192.028g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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