Home Halogens 2-(chloromethyl)-5-(trifluoromethyl)-1,3,4-thiadiazole

2-(chloromethyl)-5-(trifluoromethyl)-1,3,4-thiadiazole

CAS No.:
1260672-42-1
Catalog Number:
AG01C3HQ
Molecular Formula:
C4H2ClF3N2S
Molecular Weight:
202.5853
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Product Description
Catalog Number:
AG01C3HQ
Chemical Name:
2-(chloromethyl)-5-(trifluoromethyl)-1,3,4-thiadiazole
CAS Number:
1260672-42-1
Molecular Formula:
C4H2ClF3N2S
Molecular Weight:
202.5853
IUPAC Name:
2-(chloromethyl)-5-(trifluoromethyl)-1,3,4-thiadiazole
InChI:
InChI=1S/C4H2ClF3N2S/c5-1-2-9-10-3(11-2)4(6,7)8/h1H2
InChI Key:
ITNASIFWWJRCED-UHFFFAOYSA-N
SMILES:
ClCc1nnc(s1)C(F)(F)F
Properties
Complexity:
142  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.958g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.579g/mol
Monoisotopic Mass:
201.958g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties