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Home > Other Heterocycles > 873776-68-2
873776-68-2 | 5,8-Dithiaspiro[3.4]oct-2-en-1-one
CAS No: 873776-68-2 Catalog No: AG004NU2 MDL No:
Product Description
Catalog Number:
AG004NU2
Chemical Name:
5,8-Dithiaspiro[3.4]oct-2-en-1-one
CAS Number:
873776-68-2
Molecular Formula:
C6H6OS2
Molecular Weight:
158.2412
IUPAC Name:
5,8-dithiaspiro[3.4]oct-1-en-3-one
InChI:
InChI=1S/C6H6OS2/c7-5-1-2-6(5)8-3-4-9-6/h1-2H,3-4H2
InChI Key:
YDVJGGBUTCMMJC-UHFFFAOYSA-N
SMILES:
O=C1C=CC21SCCS2
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.986g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.233g/mol
Monoisotopic Mass:
157.986g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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