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113410-48-3 | 1,3-Dithiane, 2-[2-(1,3-dioxolan-2-yl)ethyl]-2-(4-penten-1-yl)-
CAS No: 113410-48-3 Catalog No: AG0008H4 MDL No:
Product Description
Catalog Number:
AG0008H4
Chemical Name:
1,3-Dithiane, 2-[2-(1,3-dioxolan-2-yl)ethyl]-2-(4-penten-1-yl)-
CAS Number:
113410-48-3
Molecular Formula:
C14H24O2S2
Molecular Weight:
288.4692
IUPAC Name:
2-[2-(2-pent-4-enyl-1,3-dithian-2-yl)ethyl]-1,3-dioxolane
InChI:
InChI=1S/C14H24O2S2/c1-2-3-4-7-14(17-11-5-12-18-14)8-6-13-15-9-10-16-13/h2,13H,1,3-12H2
InChI Key:
WWSYVRFKCFMXTN-UHFFFAOYSA-N
SMILES:
C=CCCCC1(SCCCS1)CCC1OCCO1
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.122g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.464g/mol
Monoisotopic Mass:
288.122g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
69.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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