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100670-09-5 | 1,3-Cyclohexanedione, 2-(1,3-dithiol-2-ylidene)-5,5-dimethyl-
CAS No: 100670-09-5 Catalog No: AG0002MB MDL No:
Product Description
Catalog Number:
AG0002MB
Chemical Name:
1,3-Cyclohexanedione, 2-(1,3-dithiol-2-ylidene)-5,5-dimethyl-
CAS Number:
100670-09-5
Molecular Formula:
C11H12O2S2
Molecular Weight:
240.3418
IUPAC Name:
2-(1,3-dithiol-2-ylidene)-5,5-dimethylcyclohexane-1,3-dione
InChI:
InChI=1S/C11H12O2S2/c1-11(2)5-7(12)9(8(13)6-11)10-14-3-4-15-10/h3-4H,5-6H2,1-2H3
InChI Key:
RFLIZWSLNXFRIC-UHFFFAOYSA-N
SMILES:
O=C1CC(C)(C)CC(=O)C1=C1SC=CS1
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.028g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.335g/mol
Monoisotopic Mass:
240.028g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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