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147777-28-4 | 1,3-Dithiolane, 2-heptyl-2-methyl-
CAS No: 147777-28-4 Catalog No: AG001F6J MDL No:
Product Description
Catalog Number:
AG001F6J
Chemical Name:
1,3-Dithiolane, 2-heptyl-2-methyl-
CAS Number:
147777-28-4
Molecular Formula:
C11H22S2
Molecular Weight:
218.4224
IUPAC Name:
2-heptyl-2-methyl-1,3-dithiolane
InChI:
InChI=1S/C11H22S2/c1-3-4-5-6-7-8-11(2)12-9-10-13-11/h3-10H2,1-2H3
InChI Key:
VTRIENSAJQYGFJ-UHFFFAOYSA-N
SMILES:
CCCCCCCC1(C)SCCS1
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.116g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.417g/mol
Monoisotopic Mass:
218.116g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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