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168280-79-3

168280-79-3 | 2H-Thiopyran-2,6(3H)-dione, dihydro-

CAS No: 168280-79-3 Catalog No: AG001XZ4 MDL No:

Product Description

Catalog Number:
AG001XZ4
Chemical Name:
2H-Thiopyran-2,6(3H)-dione, dihydro-
CAS Number:
168280-79-3
Molecular Formula:
C5H6O2S
Molecular Weight:
130.1649
IUPAC Name:
thiane-2,6-dione
InChI:
InChI=1S/C5H6O2S/c6-4-2-1-3-5(7)8-4/h1-3H2
InChI Key:
NBBVRYZBMOUJLR-UHFFFAOYSA-N
SMILES:
O=C1CCCC(=O)S1

Properties

Complexity:
116  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.009g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
130.161g/mol
Monoisotopic Mass:
130.009g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  

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