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88130-84-1 | 1-Hexanesulfonothioic acid, S-hexyl ester
CAS No: 88130-84-1 Catalog No: AG004FHD MDL No:
Product Description
Catalog Number:
AG004FHD
Chemical Name:
1-Hexanesulfonothioic acid, S-hexyl ester
CAS Number:
88130-84-1
Molecular Formula:
C12H26O2S2
Molecular Weight:
266.4636
IUPAC Name:
1-hexylsulfonylsulfanylhexane
InChI:
InChI=1S/C12H26O2S2/c1-3-5-7-9-11-15-16(13,14)12-10-8-6-4-2/h3-12H2,1-2H3
InChI Key:
DXRWHSSFDJOQEH-UHFFFAOYSA-N
SMILES:
CCCCCCSS(=O)(=O)CCCCCC
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.137g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.458g/mol
Monoisotopic Mass:
266.137g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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