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144100-79-8 | Benzene, 1-[[6-iodo-1-(methylthio)-1-hexen-1-yl]sulfonyl]-4-methyl-
CAS No: 144100-79-8 Catalog No: AG001IXX MDL No:
Product Description
Catalog Number:
AG001IXX
Chemical Name:
Benzene, 1-[[6-iodo-1-(methylthio)-1-hexen-1-yl]sulfonyl]-4-methyl-
CAS Number:
144100-79-8
Molecular Formula:
C14H19IO2S2
Molecular Weight:
410.3339
IUPAC Name:
1-(6-iodo-1-methylsulfanylhex-1-enyl)sulfonyl-4-methylbenzene
InChI:
InChI=1S/C14H19IO2S2/c1-12-7-9-13(10-8-12)19(16,17)14(18-2)6-4-3-5-11-15/h6-10H,3-5,11H2,1-2H3
InChI Key:
QDFDZZOXGADJLE-UHFFFAOYSA-N
SMILES:
ICCCCC=C(S(=O)(=O)c1ccc(cc1)C)SC
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
409.987g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
410.328g/mol
Monoisotopic Mass:
409.987g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.2
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