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90016-95-8 | Naphtho[2,1-d]thiazole, 2-(4-methylphenyl)-
CAS No: 90016-95-8 Catalog No: AG006M53 MDL No:
Product Description
Catalog Number:
AG006M53
Chemical Name:
Naphtho[2,1-d]thiazole, 2-(4-methylphenyl)-
CAS Number:
90016-95-8
Molecular Formula:
C18H13NS
Molecular Weight:
275.3675
IUPAC Name:
2-(4-methylphenyl)benzo[g][1,3]benzothiazole
InChI:
InChI=1S/C18H13NS/c1-12-6-8-14(9-7-12)18-19-16-11-10-13-4-2-3-5-15(13)17(16)20-18/h2-11H,1H3
InChI Key:
SBKMDFUZYUPQHU-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1nc2c(s1)c1ccccc1cc2
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.077g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.369g/mol
Monoisotopic Mass:
275.077g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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