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113469-03-7 | Naphthalene, 1,4-bis(ethylthio)-
CAS No: 113469-03-7 Catalog No: AG0008OV MDL No:
Product Description
Catalog Number:
AG0008OV
Chemical Name:
Naphthalene, 1,4-bis(ethylthio)-
CAS Number:
113469-03-7
Molecular Formula:
C14H16S2
Molecular Weight:
248.4068
IUPAC Name:
1,4-bis(ethylsulfanyl)naphthalene
InChI:
InChI=1S/C14H16S2/c1-3-15-13-9-10-14(16-4-2)12-8-6-5-7-11(12)13/h5-10H,3-4H2,1-2H3
InChI Key:
NKSHNVXUXRGISU-UHFFFAOYSA-N
SMILES:
CCSc1ccc(c2c1cccc2)SCC
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.069g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.402g/mol
Monoisotopic Mass:
248.069g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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