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189036-41-7 | Cycloocta-1,3-dithiol-2-one
CAS No: 189036-41-7 Catalog No: AG002HR7 MDL No:
Product Description
Catalog Number:
AG002HR7
Chemical Name:
Cycloocta-1,3-dithiol-2-one
CAS Number:
189036-41-7
Molecular Formula:
C9H6OS2
Molecular Weight:
194.2733
IUPAC Name:
cycloocta[d][1,3]dithiol-2-one
InChI:
InChI=1S/C9H6OS2/c10-9-11-7-5-3-1-2-4-6-8(7)12-9/h1-6H
InChI Key:
KCXYVBVGYBOIQV-UHFFFAOYSA-N
SMILES:
O=c1sc2c(s1)C=CC=CC=C2
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.986g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.266g/mol
Monoisotopic Mass:
193.986g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
3
XLogP3:
3.5
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