Triethylene Glycol Cyclic Sulfite - CAS 27712-99-8

Catalog:	BB075702
Product Name:	Triethylene Glycol Cyclic Sulfite
CAS:	27712-99-8
Synonyms:	2,2'-(Ethylenedioxy)diethanol Cyclic Sulfite; 1, 3, 6, 9- Tetraoxa- 2- thiacycloundecane-2- oxide

Technical Data

IUPAC Name:	1,3,6,9-tetraoxa-2λ4-thiacycloundecane 2-oxide
Description:	Triethylene Glycol Cyclic Sulfite is an intermediate in the synthesis of Triethyleneglycol Monolauryl Ether-d25 (T776532), which is the isotope labelled analog of Triethyleneglycol Monolauryl Ether (T776530); a reagent in the synthesis of N,N-dimethyl-N-dodecyl polyoxyethylene amine-based surfactants. Also used as a reagent in the synthesis of hybrid carbohydrate/oligoethylene oxide surfactants.
Molecular Weight:	196.22
Molecular Formula:	C6H12O5S
Canonical SMILES:	C1COCCOS(=O)OCCO1
InChI:	InChI=1S/C6H12O5S/c7-12-10-5-3-8-1-2-9-4-6-11-12/h1-6H2
InChI Key:	CCLVXPAZWQBGBI-UHFFFAOYSA-N
Solubility:	Methanol
Appearance:	Dark Brown Solid
References:	Hou, L., et al. J. Surfactants Deterg., 17, 403 (2014); Catanoiu, G., et al. J. Colloid Interf. Sci., 371, 82 (2012).

Complexity:	126
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	196.04054465
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	196.04054465
Rotatable Bond Count:	0
Topological Polar Surface Area:	73.2Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.3