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87527-67-1 | 1,3,4-Thiadiazol-2-amine, 5-[3-(4-methoxyphenoxy)propyl]-N-methyl-
CAS No: 87527-67-1 Catalog No: AG004DG2 MDL No:
Product Description
Catalog Number:
AG004DG2
Chemical Name:
1,3,4-Thiadiazol-2-amine, 5-[3-(4-methoxyphenoxy)propyl]-N-methyl-
CAS Number:
87527-67-1
Molecular Formula:
C13H17N3O2S
Molecular Weight:
279.3580
IUPAC Name:
5-[3-(4-methoxyphenoxy)propyl]-N-methyl-1,3,4-thiadiazol-2-amine
InChI:
InChI=1S/C13H17N3O2S/c1-14-13-16-15-12(19-13)4-3-9-18-11-7-5-10(17-2)6-8-11/h5-8H,3-4,9H2,1-2H3,(H,14,16)
InChI Key:
SIYSNDFVNSSKLJ-UHFFFAOYSA-N
SMILES:
CNc1nnc(s1)CCCOc1ccc(cc1)OC
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.104g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
279.358g/mol
Monoisotopic Mass:
279.104g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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