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84863-25-2 | 1,3-Dithiolane-2-acetaldehyde, 2-pentyl-
CAS No: 84863-25-2 Catalog No: AG004WBS MDL No:
Product Description
Catalog Number:
AG004WBS
Chemical Name:
1,3-Dithiolane-2-acetaldehyde, 2-pentyl-
CAS Number:
84863-25-2
Molecular Formula:
C10H18OS2
Molecular Weight:
218.3793
IUPAC Name:
2-(2-pentyl-1,3-dithiolan-2-yl)acetaldehyde
InChI:
InChI=1S/C10H18OS2/c1-2-3-4-5-10(6-7-11)12-8-9-13-10/h7H,2-6,8-9H2,1H3
InChI Key:
BPZMKGXONBXTCU-UHFFFAOYSA-N
SMILES:
CCCCCC1(CC=O)SCCS1
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.08g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.373g/mol
Monoisotopic Mass:
218.08g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
67.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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