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113766-00-0 | 1,2,4-Triazolo[3,4-b][1,3,4]thiadiazole, 6-methyl-3-(phenoxymethyl)-
CAS No: 113766-00-0 Catalog No: AG0009M7 MDL No:
Product Description
Catalog Number:
AG0009M7
Chemical Name:
1,2,4-Triazolo[3,4-b][1,3,4]thiadiazole, 6-methyl-3-(phenoxymethyl)-
CAS Number:
113766-00-0
Molecular Formula:
C11H10N4OS
Molecular Weight:
246.2883
IUPAC Name:
6-methyl-3-(phenoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
InChI:
InChI=1S/C11H10N4OS/c1-8-14-15-10(12-13-11(15)17-8)7-16-9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChI Key:
KJCGGLMMPZWQEA-UHFFFAOYSA-N
SMILES:
Cc1nn2c(s1)nnc2COc1ccccc1
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.058g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.288g/mol
Monoisotopic Mass:
246.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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