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10154-60-6 | Benzenecarbothioic acid, S-2-naphthalenyl ester
CAS No: 10154-60-6 Catalog No: AG0004RB MDL No:
Product Description
Catalog Number:
AG0004RB
Chemical Name:
Benzenecarbothioic acid, S-2-naphthalenyl ester
CAS Number:
10154-60-6
Molecular Formula:
C17H12OS
Molecular Weight:
264.3416
IUPAC Name:
S-naphthalen-2-yl benzenecarbothioate
InChI:
InChI=1S/C17H12OS/c18-17(14-7-2-1-3-8-14)19-16-11-10-13-6-4-5-9-15(13)12-16/h1-12H
InChI Key:
WXVZCQAFHBNAFL-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)Sc1ccc2c(c1)cccc2
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.061g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.342g/mol
Monoisotopic Mass:
264.061g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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