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918107-63-8 | 3(2H)-Isothiazolone, 2-(2-naphthalenylmethyl)-
CAS No: 918107-63-8 Catalog No: AG006LOL MDL No:
Product Description
Catalog Number:
AG006LOL
Chemical Name:
3(2H)-Isothiazolone, 2-(2-naphthalenylmethyl)-
CAS Number:
918107-63-8
Molecular Formula:
C14H11NOS
Molecular Weight:
241.3082
IUPAC Name:
2-(naphthalen-2-ylmethyl)-1,2-thiazol-3-one
InChI:
InChI=1S/C14H11NOS/c16-14-7-8-17-15(14)10-11-5-6-12-3-1-2-4-13(12)9-11/h1-9H,10H2
InChI Key:
VKZAXEGRPXHCLN-UHFFFAOYSA-N
SMILES:
O=c1ccsn1Cc1ccc2c(c1)cccc2
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.056g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.308g/mol
Monoisotopic Mass:
241.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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