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123216-99-9 | 1,3,4-Thiadiazol-2-amine, 5-[(3,4-dimethylphenoxy)methyl]-
CAS No: 123216-99-9 Catalog No: AG000K6S MDL No:MFCD01346794
Product Description
Catalog Number:
AG000K6S
Chemical Name:
1,3,4-Thiadiazol-2-amine, 5-[(3,4-dimethylphenoxy)methyl]-
CAS Number:
123216-99-9
Molecular Formula:
C11H13N3OS
Molecular Weight:
235.3054
MDL Number:
MFCD01346794
IUPAC Name:
5-[(3,4-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-amine
InChI:
InChI=1S/C11H13N3OS/c1-7-3-4-9(5-8(7)2)15-6-10-13-14-11(12)16-10/h3-5H,6H2,1-2H3,(H2,12,14)
InChI Key:
FUGZFUYAEFQGEK-UHFFFAOYSA-N
SMILES:
Nc1nnc(s1)COc1ccc(c(c1)C)C
Properties
Complexity:
229
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:
3
Topological Polar Surface Area:
89.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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