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87410-85-3 | 1,3,4-Thiadiazol-2-amine, 5-[(2-methoxyphenyl)methyl]-N-methyl-
CAS No: 87410-85-3 Catalog No: AG004N61 MDL No:
Product Description
Catalog Number:
AG004N61
Chemical Name:
1,3,4-Thiadiazol-2-amine, 5-[(2-methoxyphenyl)methyl]-N-methyl-
CAS Number:
87410-85-3
Molecular Formula:
C11H13N3OS
Molecular Weight:
235.3054
IUPAC Name:
5-[(2-methoxyphenyl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine
InChI:
InChI=1S/C11H13N3OS/c1-12-11-14-13-10(16-11)7-8-5-3-4-6-9(8)15-2/h3-6H,7H2,1-2H3,(H,12,14)
InChI Key:
DQHJRGJDZCJMES-UHFFFAOYSA-N
SMILES:
CNc1nnc(s1)Cc1ccccc1OC
Properties
Complexity:
217
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:
75.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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