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3755-83-7 | 2-Methyl-4,5-diphenylthiazole
CAS No: 3755-83-7 Catalog No: AG003KIM MDL No:
Product Description
Catalog Number:
AG003KIM
Chemical Name:
2-Methyl-4,5-diphenylthiazole
CAS Number:
3755-83-7
Molecular Formula:
C16H13NS
Molecular Weight:
251.3461
IUPAC Name:
2-methyl-4,5-diphenyl-1,3-thiazole
InChI:
InChI=1S/C16H13NS/c1-12-17-15(13-8-4-2-5-9-13)16(18-12)14-10-6-3-7-11-14/h2-11H,1H3
InChI Key:
ZFYWCVZNRMSXBT-UHFFFAOYSA-N
SMILES:
Cc1nc(c(s1)c1ccccc1)c1ccccc1
EC Number:
223-161-0
NSC Number:
59791
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.077g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.347g/mol
Monoisotopic Mass:
251.077g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
Literature
| Title | Journal |
|---|---|
| Cyclometalated Ir(III) complexes with substituted 1,10-phenanthrolines: a new class of efficient cationic organometallic second-order NLO chromophores. | Chemistry (Weinheim an der Bergstrasse, Germany) 20100426 |
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