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89861-55-2 | Thiazole, 4-methyl-2-[(trichloromethyl)thio]-
CAS No: 89861-55-2 Catalog No: AG003XCC MDL No:
Product Description
Catalog Number:
AG003XCC
Chemical Name:
Thiazole, 4-methyl-2-[(trichloromethyl)thio]-
CAS Number:
89861-55-2
Molecular Formula:
C5H4Cl3NS2
Molecular Weight:
248.5810
IUPAC Name:
4-methyl-2-(trichloromethylsulfanyl)-1,3-thiazole
InChI:
InChI=1S/C5H4Cl3NS2/c1-3-2-10-4(9-3)11-5(6,7)8/h2H,1H3
InChI Key:
FQBPYIUCODMBLT-UHFFFAOYSA-N
SMILES:
ClC(Sc1scc(n1)C)(Cl)Cl
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.885g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.564g/mol
Monoisotopic Mass:
246.885g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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