R-Thioctic Acid Tromethamine Impurity - CAS 46353-61-1

Catalog:	BB057375
Product Name:	R-Thioctic Acid Tromethamine Impurity
CAS:	46353-61-1
Synonyms:	Ethyl Ester 1, 2- Dithiolane- 3- pentanoic Acid; Ethyl Ester 1,2-Dithiolane-3-valeric Acid;Ethyl Thioctate;Ethyl-DL-α-lipoate;α-Lipoic Acid Ethyl Ester

Technical Data

IUPAC Name:	ethyl 5-(dithiolan-3-yl)pentanoate
Description:	R-Thioctic Acid Tromethamine Impurity (CAS# 46353-61-1) can be integrated for pharmaceutical as well as cosmetic use. Specifically, this compound serves as parakeratosis inhibitor, in other words, it is a skin pore-contracting agent.
Molecular Weight:	234.38
Molecular Formula:	C10H18O2S2
Canonical SMILES:	CCOC(=O)CCCCC1CCSS1
InChI:	InChI=1S/C10H18O2S2/c1-2-12-10(11)6-4-3-5-9-7-8-13-14-9/h9H,2-8H2,1H3
InChI Key:	BFHAJYZUWLOZFB-UHFFFAOYSA-N
References:	Ambrosi, G, P. Ital. Appl., 20 (2004); Iida, T., et al. Jpn. Kokai Tokkyo Koho, 20 (2007)..

Complexity:	174
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	234.07482216
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	234.07482216
Rotatable Bond Count:	7
Topological Polar Surface Area:	76.9Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4