Home Halogens 1,2,4-Thiadiazole, 5-ethoxy-3-(trichloromethyl)-

1,2,4-Thiadiazole, 5-ethoxy-3-(trichloromethyl)-

CAS No.:
2593-15-9
Catalog Number:
AG002R48
Molecular Formula:
C5H5Cl3N2OS
Molecular Weight:
247.5300
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Product Description
Catalog Number:
AG002R48
Chemical Name:
1,2,4-Thiadiazole, 5-ethoxy-3-(trichloromethyl)-
CAS Number:
2593-15-9
Molecular Formula:
C5H5Cl3N2OS
Molecular Weight:
247.5300
MDL Number:
MFCD00071812
IUPAC Name:
5-ethoxy-3-(trichloromethyl)-1,2,4-thiadiazole
InChI:
InChI=1S/C5H5Cl3N2OS/c1-2-11-4-9-3(10-12-4)5(6,7)8/h2H2,1H3
InChI Key:
KQTVWCSONPJJPE-UHFFFAOYSA-N
SMILES:
CCOc1snc(n1)C(Cl)(Cl)Cl
EC Number:
219-991-8
UNII:
9F8237I875
NSC Number:
524929
Properties
Complexity:
154  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.919g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.518g/mol
Monoisotopic Mass:
245.919g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
63.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Literature
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Properties