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125617-68-7 | 1,2-Dithiane, 3-tridecyl-
CAS No: 125617-68-7 Catalog No: AG000NYS MDL No:
Product Description
Catalog Number:
AG000NYS
Chemical Name:
1,2-Dithiane, 3-tridecyl-
CAS Number:
125617-68-7
Molecular Formula:
C17H34S2
Molecular Weight:
302.5819
IUPAC Name:
3-tridecyldithiane
InChI:
InChI=1S/C17H34S2/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-15-13-16-18-19-17/h17H,2-16H2,1H3
InChI Key:
JBXKKCWBSMCJJJ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCC1CCCSS1
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.21g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.579g/mol
Monoisotopic Mass:
302.21g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
8.1
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