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133124-43-3 | 1,6-Octadiene, 8-(butylthio)-
CAS No: 133124-43-3 Catalog No: AG0014BB MDL No:
Product Description
Catalog Number:
AG0014BB
Chemical Name:
1,6-Octadiene, 8-(butylthio)-
CAS Number:
133124-43-3
Molecular Formula:
C12H22S
Molecular Weight:
198.3681
IUPAC Name:
8-butylsulfanylocta-1,6-diene
InChI:
InChI=1S/C12H22S/c1-3-5-7-8-9-10-12-13-11-6-4-2/h3,9-10H,1,4-8,11-12H2,2H3
InChI Key:
BVCXGRNQIVULHZ-UHFFFAOYSA-N
SMILES:
CCCCSCC=CCCCC=C
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.144g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.368g/mol
Monoisotopic Mass:
198.144g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.5
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