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Home Other Building Blocks 5-[(2,3-Dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-amine

5-[(2,3-Dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-amine

CAS No.:
123217-00-5
Catalog Number:
AG000K6R
Molecular Formula:
C11H13N3OS
Molecular Weight:
235.3054
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$96
- +
5g
95%
In Stock USA
United States
$216
- +
Product Description
Catalog Number:
AG000K6R
Chemical Name:
5-[(2,3-Dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-amine
CAS Number:
123217-00-5
Molecular Formula:
C11H13N3OS
Molecular Weight:
235.3054
MDL Number:
MFCD23135441
IUPAC Name:
5-[(2,3-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-amine
InChI:
InChI=1S/C11H13N3OS/c1-7-4-3-5-9(8(7)2)15-6-10-13-14-11(12)16-10/h3-5H,6H2,1-2H3,(H2,12,14)
InChI Key:
QGXXUPNUTLOJFQ-UHFFFAOYSA-N
SMILES:
Nc1nnc(s1)COc1cccc(c1C)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
Properties