O,O-Dibutyl Phosphorodithioate Ammonium Salt - CAS 1071-18-7

Catalog:	BB068086
Product Name:	O,O-Dibutyl Phosphorodithioate Ammonium Salt
CAS:	1071-18-7
Synonyms:	Butyl Phosphorodithioate Ammonium Salt; O,O-Di-n-Butyl Dithiophosphate Ammonium Salt; O,O-Dibutyl Dithiophosphate Ammonium Salt; O,O-Dibutyl Dithiophosphoric Acid Ammonium Salt; O,O-Dibutyl Hydrogen Phosphorodithioate Ammonium Salt; O,O-Dibutyl Phosphorodithioate Ammonium Salt; O,O'-Dibutyl Dithiophosphate Ammonium Salt; O,O'-Dibutyl Hydrogen Dithiophosphate Ammonium Salt

Technical Data

IUPAC Name:	azaniumdibutoxy-sulfanylidene-sulfido-λ5-phosphane
Description:	O,O-Dibutyl Phosphorodithioate is an intermediate used to prepare oligodeoxyribonucleoside phosphorodithioates.
Molecular Weight:	259.37
Molecular Formula:	C8H22NO2PS2
Canonical SMILES:	CCCCOP(=S)(OCCCC)[S-].[NH4+]
InChI:	InChI=1S/C8H19O2PS2.H3N/c1-3-5-7-9-11(12,13)10-8-6-4-2/h3-8H2,1-2H3,(H,12,13)1H3
InChI Key:	BIZBIDALHUESMY-UHFFFAOYSA-N
Melting Point:	124-126°C
Solubility:	Chloroform (Slightly), Methanol (Slightly)
Appearance:	Off-White Solid
Storage:	4°C, Inert atmosphere
References:	Okruszek, A., et al. J. Org. Chem., 60, 6998 (1995).

Complexity:	142
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	259.08295829
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	259.08295829
Rotatable Bond Count:	8
Topological Polar Surface Area:	52.6Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0