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87527-50-2 | 1,3,4-Thiadiazol-2-amine, 5-[3-[4-(1,1-dimethylethyl)phenoxy]propyl]-
CAS No: 87527-50-2 Catalog No: AG004HAH MDL No:
Product Description
Catalog Number:
AG004HAH
Chemical Name:
1,3,4-Thiadiazol-2-amine, 5-[3-[4-(1,1-dimethylethyl)phenoxy]propyl]-
CAS Number:
87527-50-2
Molecular Formula:
C15H21N3OS
Molecular Weight:
291.4117
IUPAC Name:
5-[3-(4-tert-butylphenoxy)propyl]-1,3,4-thiadiazol-2-amine
InChI:
InChI=1S/C15H21N3OS/c1-15(2,3)11-6-8-12(9-7-11)19-10-4-5-13-17-18-14(16)20-13/h6-9H,4-5,10H2,1-3H3,(H2,16,18)
InChI Key:
IEDGXHJRNFIMAI-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)OCCCc1nnc(s1)N)(C)C
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.141g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
291.413g/mol
Monoisotopic Mass:
291.141g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
89.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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