2,2,2-Trichloroethyl 2-methyl-4,5-dihydro-1H-imidazole-1-sulfonate - CAS 1185733-66-7

Catalog:	BB076841
Product Name:	2,2,2-Trichloroethyl 2-methyl-4,5-dihydro-1H-imidazole-1-sulfonate
CAS:	1185733-66-7
Synonyms:	2,2,2-trichloroethyl 2-methylimidazole-1-sulfonate; 2,2,2-Trichloroethyl 2-methyl-4,5-dihydro-1H-imidazole-1-sulfonate

Technical Data

IUPAC Name:	2,2,2-trichloroethyl 2-methylimidazole-1-sulfonate
Description:	2,2,2-Trichloroethyl 2-methyl-4,5-dihydro-1H-imidazole-1-sulfonate is used in the synthesis of biomolecules containing sulfate groups which are known to play a role in a wide range of crucial biochemical processes.
Molecular Weight:	293.56
Molecular Formula:	C6H7Cl3N2O3S
Canonical SMILES:	CC1=NC=CN1S(=O)(=O)OCC(Cl)(Cl)Cl
InChI:	InChI=1S/C6H7Cl3N2O3S/c1-5-10-2-3-11(5)15(12,13)14-4-6(7,8)9/h2-3H,4H2,1H3
InChI Key:	WCIWSABECLBXSL-UHFFFAOYSA-N
References:	Ingram, L. et al. J. Org. Chem., 74, 6479 (2009).

Complexity:	311
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	291.924296
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	291.924296
Rotatable Bond Count:	3
Topological Polar Surface Area:	69.6Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2