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87527-43-3 | 1,3,4-Thiadiazol-2-amine, 5-[(4-chlorophenoxy)methyl]-N-methyl-
CAS No: 87527-43-3 Catalog No: AG004DG7 MDL No:
Product Description
Catalog Number:
AG004DG7
Chemical Name:
1,3,4-Thiadiazol-2-amine, 5-[(4-chlorophenoxy)methyl]-N-methyl-
CAS Number:
87527-43-3
Molecular Formula:
C10H10ClN3OS
Molecular Weight:
255.7239
IUPAC Name:
5-[(4-chlorophenoxy)methyl]-N-methyl-1,3,4-thiadiazol-2-amine
InChI:
InChI=1S/C10H10ClN3OS/c1-12-10-14-13-9(16-10)6-15-8-4-2-7(11)3-5-8/h2-5H,6H2,1H3,(H,12,14)
InChI Key:
YNFBYZYUGWEURO-UHFFFAOYSA-N
SMILES:
CNc1nnc(s1)COc1ccc(cc1)Cl
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.023g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.72g/mol
Monoisotopic Mass:
255.023g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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