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216393-65-6 | 1-N-BUTYL-4-(ETHYLTHIO)BENZENE
CAS No: 216393-65-6 Catalog No: AG003EK2 MDL No:
Product Description
Catalog Number:
AG003EK2
Chemical Name:
1-N-BUTYL-4-(ETHYLTHIO)BENZENE
CAS Number:
216393-65-6
IUPAC Name:
1-butyl-4-ethylsulfanylbenzene
InChI:
InChI=1S/C12H18S/c1-3-5-6-11-7-9-12(10-8-11)13-4-2/h7-10H,3-6H2,1-2H3
InChI Key:
KJPCRLLXIOTRAN-UHFFFAOYSA-N
Properties
Complexity:
114
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.113g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.336g/mol
Monoisotopic Mass:
194.113g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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