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114132-36-4 | Naphthalene, 2,2'-[thiobis(methylene)]bis- (9CI)
CAS No: 114132-36-4 Catalog No: AG000AMX MDL No:
Product Description
Catalog Number:
AG000AMX
Chemical Name:
Naphthalene, 2,2'-[thiobis(methylene)]bis- (9CI)
CAS Number:
114132-36-4
Molecular Formula:
C22H18S
Molecular Weight:
314.4433
IUPAC Name:
2-(naphthalen-2-ylmethylsulfanylmethyl)naphthalene
InChI:
InChI=1S/C22H18S/c1-3-7-21-13-17(9-11-19(21)5-1)15-23-16-18-10-12-20-6-2-4-8-22(20)14-18/h1-14H,15-16H2
InChI Key:
YLHSXVJSEYABFA-UHFFFAOYSA-N
SMILES:
S(Cc1ccc2c(c1)cccc2)Cc1ccc2c(c1)cccc2
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.113g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.446g/mol
Monoisotopic Mass:
314.113g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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