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113845-74-2 | 2,5-Cyclohexadiene-1,4-dione, 2,3-dimethyl-5,6-bis(methylthio)-
CAS No: 113845-74-2 Catalog No: AG0009VO MDL No:
Product Description
Catalog Number:
AG0009VO
Chemical Name:
2,5-Cyclohexadiene-1,4-dione, 2,3-dimethyl-5,6-bis(methylthio)-
CAS Number:
113845-74-2
Molecular Formula:
C10H12O2S2
Molecular Weight:
228.3311
IUPAC Name:
2,3-dimethyl-5,6-bis(methylsulfanyl)cyclohexa-2,5-diene-1,4-dione
InChI:
InChI=1S/C10H12O2S2/c1-5-6(2)8(12)10(14-4)9(13-3)7(5)11/h1-4H3
InChI Key:
GWEFFLMFSRDYRR-UHFFFAOYSA-N
SMILES:
CSC1=C(SC)C(=O)C(=C(C1=O)C)C
Properties
Complexity:
330
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:
2
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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