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129679-46-5 | 3,6-Ethano-1H,4H-thieno[3,4-c]thiophene-1,4-dione, tetrahydro-3,6-dimethyl-
CAS No: 129679-46-5 Catalog No: AG000TL0 MDL No:
Product Description
Catalog Number:
AG000TL0
Chemical Name:
3,6-Ethano-1H,4H-thieno[3,4-c]thiophene-1,4-dione, tetrahydro-3,6-dimethyl-
CAS Number:
129679-46-5
Molecular Formula:
C10H12O2S2
Molecular Weight:
228.3311
IUPAC Name:
1,4-dimethyl-5,10-dithiatricyclo[5.3.0.04,8]decane-6,9-dione
InChI:
InChI=1S/C10H12O2S2/c1-9-3-4-10(2)6(8(12)13-9)5(9)7(11)14-10/h5-6H,3-4H2,1-2H3
InChI Key:
NGVHZIVOGQAOOC-UHFFFAOYSA-N
SMILES:
O=C1SC2(C3C1C(C)(CC2)SC3=O)C
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.028g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.324g/mol
Monoisotopic Mass:
228.028g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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