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24599-55-1 | Naphthalene, 2-[(1-methylethyl)thio]-
CAS No: 24599-55-1 Catalog No: AG002OPJ MDL No:
Product Description
Catalog Number:
AG002OPJ
Chemical Name:
Naphthalene, 2-[(1-methylethyl)thio]-
CAS Number:
24599-55-1
Molecular Formula:
C13H14S
Molecular Weight:
202.3153
IUPAC Name:
2-propan-2-ylsulfanylnaphthalene
InChI:
InChI=1S/C13H14S/c1-10(2)14-13-8-7-11-5-3-4-6-12(11)9-13/h3-10H,1-2H3
InChI Key:
ABXFDDBFNPHUJX-UHFFFAOYSA-N
SMILES:
CC(Sc1ccc2c(c1)cccc2)C
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.082g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.315g/mol
Monoisotopic Mass:
202.082g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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