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27603-25-4 | 1,3,4-Thiadiazole, 2-(methylsulfonyl)-5-(trifluoromethyl)-
CAS No: 27603-25-4 Catalog No: AG002U7Y MDL No:MFCD04092021
Product Description
Catalog Number:
AG002U7Y
Chemical Name:
1,3,4-Thiadiazole, 2-(methylsulfonyl)-5-(trifluoromethyl)-
CAS Number:
27603-25-4
Molecular Formula:
C4H3F3N2O2S2
Molecular Weight:
232.2040
MDL Number:
MFCD04092021
IUPAC Name:
2-methylsulfonyl-5-(trifluoromethyl)-1,3,4-thiadiazole
InChI:
InChI=1S/C4H3F3N2O2S2/c1-13(10,11)3-9-8-2(12-3)4(5,6)7/h1H3
InChI Key:
SQLPTSMJAQPVKR-UHFFFAOYSA-N
SMILES:
FC(c1nnc(s1)S(=O)(=O)C)(F)F
EC Number:
809-978-0
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.959g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.195g/mol
Monoisotopic Mass:
231.959g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
96.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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