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1768-91-8 | 4H-Thiopyran-4-one, 2,6-dimercapto-
CAS No: 1768-91-8 Catalog No: AG0024X4 MDL No:
Product Description
Catalog Number:
AG0024X4
Chemical Name:
4H-Thiopyran-4-one, 2,6-dimercapto-
CAS Number:
1768-91-8
Molecular Formula:
C5H4OS3
Molecular Weight:
176.2797
IUPAC Name:
2,6-bis(sulfanyl)thiopyran-4-one
InChI:
InChI=1S/C5H4OS3/c6-3-1-4(7)9-5(8)2-3/h1-2,7-8H
InChI Key:
PLKJYYMGMQAMHZ-UHFFFAOYSA-N
SMILES:
Sc1sc(S)cc(=O)c1
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.942g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
176.266g/mol
Monoisotopic Mass:
175.942g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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