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87410-73-9 | 1,3,4-Thiadiazol-2-amine, N-methyl-5-(3-phenoxypropyl)-
CAS No: 87410-73-9 Catalog No: AG004GF3 MDL No:
Product Description
Catalog Number:
AG004GF3
Chemical Name:
1,3,4-Thiadiazol-2-amine, N-methyl-5-(3-phenoxypropyl)-
CAS Number:
87410-73-9
Molecular Formula:
C12H15N3OS
Molecular Weight:
249.3320
IUPAC Name:
N-methyl-5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-amine
InChI:
InChI=1S/C12H15N3OS/c1-13-12-15-14-11(17-12)8-5-9-16-10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3,(H,13,15)
InChI Key:
KBUZZPKMMWQMEU-UHFFFAOYSA-N
SMILES:
CNc1nnc(s1)CCCOc1ccccc1
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.094g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.332g/mol
Monoisotopic Mass:
249.094g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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