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101894-48-8 | Naphthalene, 2-[(2,3-dihydro-1H-inden-2-yl)thio]-
CAS No: 101894-48-8 Catalog No: AG0005UF MDL No:
Product Description
Catalog Number:
AG0005UF
Chemical Name:
Naphthalene, 2-[(2,3-dihydro-1H-inden-2-yl)thio]-
CAS Number:
101894-48-8
Molecular Formula:
C19H16S
Molecular Weight:
276.3953
IUPAC Name:
2-(2,3-dihydro-1H-inden-2-ylsulfanyl)naphthalene
InChI:
InChI=1S/C19H16S/c1-2-6-15-11-18(10-9-14(15)5-1)20-19-12-16-7-3-4-8-17(16)13-19/h1-11,19H,12-13H2
InChI Key:
PQYOWUXYVRHAAV-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)CC(C2)Sc1ccc2c(c1)cccc2
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.097g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.397g/mol
Monoisotopic Mass:
276.097g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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