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17590-34-0 | 1,2,4-Thiadiazole, 3,5-bis(4-methylphenyl)-
CAS No: 17590-34-0 Catalog No: AG0021A4 MDL No:
Product Description
Catalog Number:
AG0021A4
Chemical Name:
1,2,4-Thiadiazole, 3,5-bis(4-methylphenyl)-
CAS Number:
17590-34-0
Molecular Formula:
C16H14N2S
Molecular Weight:
266.3608
IUPAC Name:
3,5-bis(4-methylphenyl)-1,2,4-thiadiazole
InChI:
InChI=1S/C16H14N2S/c1-11-3-7-13(8-4-11)15-17-16(19-18-15)14-9-5-12(2)6-10-14/h3-10H,1-2H3
InChI Key:
YSKSBJXPRHCRNP-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1snc(n1)c1ccc(cc1)C
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.088g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.362g/mol
Monoisotopic Mass:
266.088g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
Literature
| Title | Journal |
|---|---|
| Optimizing thiadiazole analogues of resveratrol versus three chemopreventive targets. | Bioorganic & medicinal chemistry 20120101 |
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