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79999-60-3 | 1,3,4-Thiadiazole, 2,5-dihydro-2,2-diphenyl-
CAS No: 79999-60-3 Catalog No: AG005DS9 MDL No:
Product Description
Catalog Number:
AG005DS9
Chemical Name:
1,3,4-Thiadiazole, 2,5-dihydro-2,2-diphenyl-
CAS Number:
79999-60-3
Molecular Formula:
C14H12N2S
Molecular Weight:
240.3235
IUPAC Name:
5,5-diphenyl-2H-1,3,4-thiadiazole
InChI:
InChI=1S/C14H12N2S/c1-3-7-12(8-4-1)14(16-15-11-17-14)13-9-5-2-6-10-13/h1-10H,11H2
InChI Key:
OZBOMCDUSULYNW-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C1(SCN=N1)c1ccccc1
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.072g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.324g/mol
Monoisotopic Mass:
240.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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