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87418-16-4 | 1,3,4-Thiadiazol-2-amine, 5-[2-(4-chlorophenoxy)ethyl]-N-methyl-
CAS No: 87418-16-4 Catalog No: AG004GE6 MDL No:
Product Description
Catalog Number:
AG004GE6
Chemical Name:
1,3,4-Thiadiazol-2-amine, 5-[2-(4-chlorophenoxy)ethyl]-N-methyl-
CAS Number:
87418-16-4
Molecular Formula:
C11H12ClN3OS
Molecular Weight:
269.7505
IUPAC Name:
5-[2-(4-chlorophenoxy)ethyl]-N-methyl-1,3,4-thiadiazol-2-amine
InChI:
InChI=1S/C11H12ClN3OS/c1-13-11-15-14-10(17-11)6-7-16-9-4-2-8(12)3-5-9/h2-5H,6-7H2,1H3,(H,13,15)
InChI Key:
OTGQNYJDUXLHEU-UHFFFAOYSA-N
SMILES:
CNc1nnc(s1)CCOc1ccc(cc1)Cl
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.039g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.747g/mol
Monoisotopic Mass:
269.039g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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