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133188-94-0 | Benzene, (2-nonyn-1-ylthio)-
CAS No: 133188-94-0 Catalog No: AG0014E3 MDL No:
Product Description
Catalog Number:
AG0014E3
Chemical Name:
Benzene, (2-nonyn-1-ylthio)-
CAS Number:
133188-94-0
Molecular Formula:
C15H20S
Molecular Weight:
232.3843
IUPAC Name:
non-2-ynylsulfanylbenzene
InChI:
InChI=1S/C15H20S/c1-2-3-4-5-6-7-11-14-16-15-12-9-8-10-13-15/h8-10,12-13H,2-6,14H2,1H3
InChI Key:
QKAKCZNKBUDOQM-UHFFFAOYSA-N
SMILES:
CCCCCCC#CCSc1ccccc1
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.129g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.385g/mol
Monoisotopic Mass:
232.129g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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