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13910-16-2 | Benzene, (octylthio)-
CAS No: 13910-16-2 Catalog No: AG001AA0 MDL No:
Product Description
Catalog Number:
AG001AA0
Chemical Name:
Benzene, (octylthio)-
CAS Number:
13910-16-2
Molecular Formula:
C14H22S
Molecular Weight:
222.3895
IUPAC Name:
octylsulfanylbenzene
InChI:
InChI=1S/C14H22S/c1-2-3-4-5-6-10-13-15-14-11-8-7-9-12-14/h7-9,11-12H,2-6,10,13H2,1H3
InChI Key:
GMMWKYSAFBYKHU-UHFFFAOYSA-N
SMILES:
CCCCCCCCSc1ccccc1
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.144g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.39g/mol
Monoisotopic Mass:
222.144g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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