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1248-80-2 | Benzenamine, 4,4'-(1,3,4-thiadiazole-2,5-diyl)bis[N,N-diethyl-
CAS No: 1248-80-2 Catalog No: AG000MRV MDL No:
Product Description
Catalog Number:
AG000MRV
Chemical Name:
Benzenamine, 4,4'-(1,3,4-thiadiazole-2,5-diyl)bis[N,N-diethyl-
CAS Number:
1248-80-2
Molecular Formula:
C22H28N4S
Molecular Weight:
380.5495
IUPAC Name:
4-[5-[4-(diethylamino)phenyl]-1,3,4-thiadiazol-2-yl]-N,N-diethylaniline
InChI:
InChI=1S/C22H28N4S/c1-5-25(6-2)19-13-9-17(10-14-19)21-23-24-22(27-21)18-11-15-20(16-12-18)26(7-3)8-4/h9-16H,5-8H2,1-4H3
InChI Key:
LGKCTTQKRNEUAL-UHFFFAOYSA-N
SMILES:
CCN(c1ccc(cc1)c1nnc(s1)c1ccc(cc1)N(CC)CC)CC
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
380.203g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
380.554g/mol
Monoisotopic Mass:
380.203g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
60.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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