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160300-24-3 | 2,4-Pentanedione, 3-(1,3-dithiepan-2-ylidene)-
CAS No: 160300-24-3 Catalog No: AG001RU2 MDL No:
Product Description
Catalog Number:
AG001RU2
Chemical Name:
2,4-Pentanedione, 3-(1,3-dithiepan-2-ylidene)-
CAS Number:
160300-24-3
Molecular Formula:
C10H14O2S2
Molecular Weight:
230.3470
IUPAC Name:
3-(1,3-dithiepan-2-ylidene)pentane-2,4-dione
InChI:
InChI=1S/C10H14O2S2/c1-7(11)9(8(2)12)10-13-5-3-4-6-14-10/h3-6H2,1-2H3
InChI Key:
DZGWEYSXYAPRBY-UHFFFAOYSA-N
SMILES:
CC(=O)C(=C1SCCCCS1)C(=O)C
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.044g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.34g/mol
Monoisotopic Mass:
230.044g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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