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15908-50-6 | 2,4-Pentanedione, 3-[bis(methylthio)methylene]-
CAS No: 15908-50-6 Catalog No: AG001QFX MDL No:
Product Description
Catalog Number:
AG001QFX
Chemical Name:
2,4-Pentanedione, 3-[bis(methylthio)methylene]-
CAS Number:
15908-50-6
Molecular Formula:
C8H12O2S2
Molecular Weight:
204.3097
IUPAC Name:
3-[bis(methylsulfanyl)methylidene]pentane-2,4-dione
InChI:
InChI=1S/C8H12O2S2/c1-5(9)7(6(2)10)8(11-3)12-4/h1-4H3
InChI Key:
XWXZIOSTOJKWSB-UHFFFAOYSA-N
SMILES:
CSC(=C(C(=O)C)C(=O)C)SC
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.028g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.302g/mol
Monoisotopic Mass:
204.028g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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