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147792-30-1 | Dibenzothiophene, 2-propyl-
CAS No: 147792-30-1 Catalog No: AG001F73 MDL No:
Product Description
Catalog Number:
AG001F73
Chemical Name:
Dibenzothiophene, 2-propyl-
CAS Number:
147792-30-1
Molecular Formula:
C15H14S
Molecular Weight:
226.3367
IUPAC Name:
2-propyldibenzothiophene
InChI:
InChI=1S/C15H14S/c1-2-5-11-8-9-15-13(10-11)12-6-3-4-7-14(12)16-15/h3-4,6-10H,2,5H2,1H3
InChI Key:
YZWKFCFQDAGRAY-UHFFFAOYSA-N
SMILES:
CCCc1ccc2c(c1)c1ccccc1s2
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.082g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.337g/mol
Monoisotopic Mass:
226.082g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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