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331818-27-0 | 5-(4-Ethyl-phenoxymethyl)-[1,3,4]thiadiazol-2-ylamine
CAS No: 331818-27-0 Catalog No: AG01F8C7 MDL No:
Product Description
Catalog Number:
AG01F8C7
Chemical Name:
5-(4-Ethyl-phenoxymethyl)-[1,3,4]thiadiazol-2-ylamine
CAS Number:
331818-27-0
Molecular Formula:
C11H13N3OS
Molecular Weight:
235.3054
IUPAC Name:
5-[(4-ethylphenoxy)methyl]-1,3,4-thiadiazol-2-amine
InChI:
InChI=1S/C11H13N3OS/c1-2-8-3-5-9(6-4-8)15-7-10-13-14-11(12)16-10/h3-6H,2,7H2,1H3,(H2,12,14)
InChI Key:
NVXXRNFNGWRRSN-UHFFFAOYSA-N
SMILES:
CCc1ccc(cc1)OCc1nnc(s1)N
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.078g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.305g/mol
Monoisotopic Mass:
235.078g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
89.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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