N-Boc-3-mercaptopyrrolidine - CAS 371240-66-3

Catalog:	BB023198
Product Name:	N-Boc-3-mercaptopyrrolidine
CAS:	371240-66-3
Synonyms:	3-mercapto-1-pyrrolidinecarboxylic acid tert-butyl ester; tert-butyl 3-sulfanylpyrrolidine-1-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl 3-sulfanylpyrrolidine-1-carboxylate
Description:	N-Boc-3-mercaptopyrrolidine (CAS# 371240-66-3 ) is a useful research chemical.
Molecular Weight:	203.30
Molecular Formula:	C9H17NO2S
Canonical SMILES:	CC(C)(C)OC(=O)N1CCC(C1)S
InChI:	InChI=1S/C9H17NO2S/c1-9(2,3)12-8(11)10-5-4-7(13)6-10/h7,13H,4-6H2,1-3H3
InChI Key:	QZVCJLUVFPPQLX-UHFFFAOYSA-N
LogP:	1.86350

Publication Number	Title	Priority Date
WO-2019150305-A1	Substituted quinazoline and pyridopyrimidine derivatives useful as anticancer agents	20180201
EP-3313828-A1	Metallo-beta-lactamase inhibitors	20150626
US-10227331-B2	Metallo-Î²-lactamase inhibitors	20150626
US-2018179190-A1	Metallo-beta-lactamase inhibitors	20150626
WO-2016206101-A1	Metallo-beta-lactamase inhibitors	20150626

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	200
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	203.09799996
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	203.09799996
Rotatable Bond Count:	2
Topological Polar Surface Area:	30.5 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6