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87527-66-0 | 1,3,4-Thiadiazol-2-amine, 5-[3-(4-bromophenoxy)propyl]-N-methyl-
CAS No: 87527-66-0 Catalog No: AG004HAE MDL No:
Product Description
Catalog Number:
AG004HAE
Chemical Name:
1,3,4-Thiadiazol-2-amine, 5-[3-(4-bromophenoxy)propyl]-N-methyl-
CAS Number:
87527-66-0
Molecular Formula:
C12H14BrN3OS
Molecular Weight:
328.2281
IUPAC Name:
5-[3-(4-bromophenoxy)propyl]-N-methyl-1,3,4-thiadiazol-2-amine
InChI:
InChI=1S/C12H14BrN3OS/c1-14-12-16-15-11(18-12)3-2-8-17-10-6-4-9(13)5-7-10/h4-7H,2-3,8H2,1H3,(H,14,16)
InChI Key:
BDGYHCZKLZJKDV-UHFFFAOYSA-N
SMILES:
CNc1nnc(s1)CCCOc1ccc(cc1)Br
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.004g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
328.228g/mol
Monoisotopic Mass:
327.004g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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