3-Boc-1,2,3-oxathiazolidine 2,2-dioxide - CAS 459817-82-4

Catalog:	BB026046
Product Name:	3-Boc-1,2,3-oxathiazolidine 2,2-dioxide
CAS:	459817-82-4
Synonyms:	tert-butyl 2,2-dioxooxathiazolidine-3-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl 2,2-dioxooxathiazolidine-3-carboxylate
Description:	3-Boc-1,2,3-oxathiazolidine 2,2-dioxide (CAS# 459817-82-4) is a useful research chemical.
Molecular Weight:	223.25
Molecular Formula:	C7H13NO5S
Canonical SMILES:	CC(C)(C)OC(=O)N1CCOS1(=O)=O
InChI:	InChI=1S/C7H13NO5S/c1-7(2,3)13-6(9)8-4-5-12-14(8,10)11/h4-5H2,1-3H3
InChI Key:	ALJRPIAYJALVFG-UHFFFAOYSA-N
Purity:	97.0 %
MDL:	MFCD20527196
LogP:	1.51720

Publication Number	Title	Priority Date
CN-113336774-A	Substituted chiral diaryl macrocycles as TRK inhibitors	20210625
WO-2021207291-A1	Compounds and uses thereof	20200406
CN-111303078-A	Synthesis method of tert-butyl 1,2, 3-thiazolidine-3-carboxylate 2, 2-dioxide compound	20200402
WO-2021155321-A2	Compounds and uses thereof	20200129
WO-2021113492-A1	Cyclic compounds and methods of using same	20191206

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P273, P301+P312, P330, P391, and P501
Signal Word:	Warning

Complexity:	323
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	223.05144369
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	223.05144369
Rotatable Bond Count:	2
Topological Polar Surface Area:	81.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5