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139224-80-9 | 1,3-Dithiolane, 2-(4,8-dimethylnonyl)-2-methyl-
CAS No: 139224-80-9 Catalog No: AG001AIT MDL No:
Product Description
Catalog Number:
AG001AIT
Chemical Name:
1,3-Dithiolane, 2-(4,8-dimethylnonyl)-2-methyl-
CAS Number:
139224-80-9
Molecular Formula:
C15H30S2
Molecular Weight:
274.5287
IUPAC Name:
2-(4,8-dimethylnonyl)-2-methyl-1,3-dithiolane
InChI:
InChI=1S/C15H30S2/c1-13(2)7-5-8-14(3)9-6-10-15(4)16-11-12-17-15/h13-14H,5-12H2,1-4H3
InChI Key:
PYPPQIQTRLLLME-UHFFFAOYSA-N
SMILES:
CC(CCCC(C)C)CCCC1(C)SCCS1
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.179g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.525g/mol
Monoisotopic Mass:
274.179g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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