Sodium O,O-Dimethyl Thiophosphate (Technical grade) - CAS 23754-87-2

Catalog:	BB057792
Product Name:	Sodium O,O-Dimethyl Thiophosphate (Technical grade)
CAS:	23754-87-2
Synonyms:	Methyl Sodium Phosphorothioate ((MeO)2(NaO)PS); O,O-Dimethyl Ester Phosphorothioic Acid Sodium Salt; O,O-Dimethyl S-Hydrogen Phosphorothioate Sodium Salt

Technical Data

IUPAC Name:	sodiumdimethoxy-oxido-sulfanylidene-λ5-phosphane
Description:	Sodium O,O-Dimethyl Thiophosphate is a reactant used in the rearrangement of S-(2-Aminoethyl)thiophosphates to N-(2-Mercaptoethyl)phosphoramidates.
Molecular Weight:	164.1
Molecular Formula:	C2H6NaO3PS
Canonical SMILES:	COP(=S)([O-])OC.[Na+]
InChI:	InChI=1S/C2H7O3PS.Na/c1-4-6(3,7)5-2/h1-2H3,(H,3,7)/q+1/p-1
InChI Key:	LWRYJFJUTLBKPU-UHFFFAOYSA-M
Melting Point:	>300°C (dec.)
Solubility:	Chloroform (Very Slightly), DMSO (Slightly), Methanol (Slightly)
Appearance:	White to Pale Beige Solid
Storage:	Hygroscopic, Refrigerator, under inert atmosphere
References:	Chem, M., et. al. Eur. J. Org. Chem., 35, 5826 (2007).

Complexity:	89.3
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	163.9672965
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	163.9672965
Rotatable Bond Count:	2
Topological Polar Surface Area:	73.6Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0