Sodium 2-Hydroxypropanesulfonate - CAS 1561-96-2

Catalog:	BB057733
Product Name:	Sodium 2-Hydroxypropanesulfonate
CAS:	1561-96-2
Synonyms:	2-Hydroxypropanesulfonic Acid Sodium Salt; 2-Hydroxy-1-propanesulfonic Acid Sodium Salt; Sodium 2-Hydroxypropane-1-sulfonate; NSC 51695

Technical Data

IUPAC Name:	2-hydroxypropane-1-sulfonic acid
Description:	Sodium 2-Hydroxypropanesulfonate is an intermediate in the synthesis of 2-Chloro-1-propanesulfonyl Chloride which is a reagent used as a building block in medicinal chemistry in the synthesis of heterocyclic compounds.
Molecular Weight:	162.13
Molecular Formula:	C3H7NaO4S
Canonical SMILES:	CC(CS(=O)(=O)O)O
InChI:	InChI=1S/C3H8O4S/c1-3(4)2-8(5,6)7/h3-4H,2H2,1H3,(H,5,6,7)
InChI Key:	HSXUNHYXJWDLDK-UHFFFAOYSA-N
Solubility:	H2O
Appearance:	White Solid
Storage:	Room Temperature, Under Inert Atmosphere
References:	Virgil, P. et al. J Org. Chem., 66, 2104 (2001).

Complexity:	141
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	140.01432991
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	140.01432991
Rotatable Bond Count:	2
Topological Polar Surface Area:	83Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	-1.1