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87527-60-4 | 1,3,4-Thiadiazol-2-amine, N-methyl-5-[3-(3-methylphenoxy)propyl]-
CAS No: 87527-60-4 Catalog No: AG004DG4 MDL No:
Product Description
Catalog Number:
AG004DG4
Chemical Name:
1,3,4-Thiadiazol-2-amine, N-methyl-5-[3-(3-methylphenoxy)propyl]-
CAS Number:
87527-60-4
Molecular Formula:
C13H17N3OS
Molecular Weight:
263.3586
IUPAC Name:
N-methyl-5-[3-(3-methylphenoxy)propyl]-1,3,4-thiadiazol-2-amine
InChI:
InChI=1S/C13H17N3OS/c1-10-5-3-6-11(9-10)17-8-4-7-12-15-16-13(14-2)18-12/h3,5-6,9H,4,7-8H2,1-2H3,(H,14,16)
InChI Key:
NFZRGWYRAXRQHT-UHFFFAOYSA-N
SMILES:
CNc1nnc(s1)CCCOc1cccc(c1)C
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.109g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.359g/mol
Monoisotopic Mass:
263.109g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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