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830320-92-8 | Benzene, 1-(1,1-dimethylethyl)-4-[(1E)-1-octenylthio]-
CAS No: 830320-92-8 Catalog No: AG0053HL MDL No:
Product Description
Catalog Number:
AG0053HL
Chemical Name:
Benzene, 1-(1,1-dimethylethyl)-4-[(1E)-1-octenylthio]-
CAS Number:
830320-92-8
Molecular Formula:
C18H28S
Molecular Weight:
276.4799
IUPAC Name:
1-tert-butyl-4-oct-1-enylsulfanylbenzene
InChI:
InChI=1S/C18H28S/c1-5-6-7-8-9-10-15-19-17-13-11-16(12-14-17)18(2,3)4/h10-15H,5-9H2,1-4H3
InChI Key:
ARGIZCZYIGWULI-UHFFFAOYSA-N
SMILES:
CCCCCC/C=C/Sc1ccc(cc1)C(C)(C)C
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.191g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.482g/mol
Monoisotopic Mass:
276.191g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
7.4
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