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137654-78-5 | 1,2,4-Thiadiazole-3,5-diamine, N3,N5-bis(2-methylphenyl)-
CAS No: 137654-78-5 Catalog No: AG0013OB MDL No:
Product Description
Catalog Number:
AG0013OB
Chemical Name:
1,2,4-Thiadiazole-3,5-diamine, N3,N5-bis(2-methylphenyl)-
CAS Number:
137654-78-5
Molecular Formula:
C16H16N4S
Molecular Weight:
296.3900
IUPAC Name:
3-N,5-N-bis(2-methylphenyl)-1,2,4-thiadiazole-3,5-diamine
InChI:
InChI=1S/C16H16N4S/c1-11-7-3-5-9-13(11)17-15-19-16(21-20-15)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H2,17,18,19,20)
InChI Key:
AKKLYHPUPWBMLF-UHFFFAOYSA-N
SMILES:
Cc1ccccc1Nc1nsc(n1)Nc1ccccc1C
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.11g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
296.392g/mol
Monoisotopic Mass:
296.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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