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75679-09-3 | Disulfide, butyl3-methylbutyl (9CI)
CAS No: 75679-09-3 Catalog No: AG005IXN MDL No:
Product Description
Catalog Number:
AG005IXN
Chemical Name:
Disulfide, butyl3-methylbutyl (9CI)
CAS Number:
75679-09-3
Molecular Formula:
C18H38S2
Molecular Weight:
318.6243
IUPAC Name:
2-methyl-4-(2-methyloctan-4-yldisulfanyl)octane
InChI:
InChI=1S/C18H38S2/c1-7-9-11-17(13-15(3)4)19-20-18(12-10-8-2)14-16(5)6/h15-18H,7-14H2,1-6H3
InChI Key:
YEQCJJFMSUPTGF-UHFFFAOYSA-N
SMILES:
CCCCC(CC(C)C)SSC(CC(C)C)CCCC
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.241g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.622g/mol
Monoisotopic Mass:
318.241g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
8
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