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87410-96-6 | 1,3,4-Thiadiazol-2-amine, 5-[3-(4-methoxyphenyl)propyl]-N-methyl-
CAS No: 87410-96-6 Catalog No: AG004GF1 MDL No:
Product Description
Catalog Number:
AG004GF1
Chemical Name:
1,3,4-Thiadiazol-2-amine, 5-[3-(4-methoxyphenyl)propyl]-N-methyl-
CAS Number:
87410-96-6
Molecular Formula:
C13H17N3OS
Molecular Weight:
263.3586
IUPAC Name:
5-[3-(4-methoxyphenyl)propyl]-N-methyl-1,3,4-thiadiazol-2-amine
InChI:
InChI=1S/C13H17N3OS/c1-14-13-16-15-12(18-13)5-3-4-10-6-8-11(17-2)9-7-10/h6-9H,3-5H2,1-2H3,(H,14,16)
InChI Key:
UONDSZDVZCSWEM-UHFFFAOYSA-N
SMILES:
CNc1nnc(s1)CCCc1ccc(cc1)OC
Properties
Complexity:
234
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:
3.3
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