[Bis(t-Boc)amino]methyl Methanethiosulfonate - CAS 1190009-49-4

Catalog:	BB061745
Product Name:	[Bis(t-Boc)amino]methyl Methanethiosulfonate
CAS:	1190009-49-4
Synonyms:	Boc-aminomethyl MTS; Methanesulfonothioic Acid S-[[Bis[(1,1-dimethylethoxy)carbonyl]amino]methyl] Ester

Technical Data

IUPAC Name:	tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(methylsulfonylsulfanylmethyl)carbamate
Description:	[Bis(t-Boc)amino]methyl Methanethiosulfonate (cas# 1190009-49-4) is a compound useful in organic synthesis.
Molecular Weight:	341.44
Molecular Formula:	C12H23NO6S2
Canonical SMILES:	CC(C)(C)OC(=O)N(CSS(=O)(=O)C)C(=O)OC(C)(C)C
InChI:	InChI=1S/C12H23NO6S2/c1-11(2,3)18-9(14)13(8-20-21(7,16)17)10(15)19-12(4,5)6/h8H2,1-7H3
InChI Key:	FZNXHBNNTGBLEP-UHFFFAOYSA-N
Melting Point:	92-94°C
Solubility:	Chloroform (Slightly), Methanol (Slightly)
Appearance:	White Solid
Storage:	4°C

Complexity:	453
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	341.0966798
Formal Charge:	0
Heavy Atom Count:	21
Hydrogen Bond Acceptor Count:	7
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	341.0966798
Rotatable Bond Count:	7
Topological Polar Surface Area:	124Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2