Methyl thiazolidine-2-carboxylate hydrochloride - CAS 33305-08-7

Catalog:	BB021656
Product Name:	Methyl thiazolidine-2-carboxylate hydrochloride
CAS:	33305-08-7
Synonyms:	methyl 1,3-thiazolidine-2-carboxylate;hydrochloride

Technical Data

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Computed Properties

IUPAC Name:	methyl 1,3-thiazolidine-2-carboxylate;hydrochloride
Description:	Methyl thiazolidine-2-carboxylate hydrochloride (CAS# 33305-08-7) is a useful research chemical compound.
Molecular Weight:	183.66
Molecular Formula:	C5H9NO2S · HCl
Canonical SMILES:	COC(=O)C1NCCS1.Cl
InChI:	InChI=1S/C5H9NO2S.ClH/c1-8-5(7)4-6-2-3-9-4;/h4,6H,2-3H2,1H3;1H
InChI Key:	YGTQIXUXZVNVKG-UHFFFAOYSA-N
Boiling Point:	238.9 °C at 760 mmHg
Melting Point:	159-163 °C (dec.)
Purity:	95 %
Appearance:	Solid
MDL:	MFCD00068022
LogP:	0.95270

Publication Number	Title	Priority Date
DE-102016211115-A1	Enzyme stabilizers	20160622
WO-2017220302-A1	Enzyme stabilizers	20160622
CN-106715418-A	Therapeutic compounds and methods of use thereof	20140707
EP-3166939-B1	Therapeutic compounds and methods of use thereof	20140707
JP-2017525677-A	Therapeutic compounds and methods of use thereof	20140707

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	118
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	183.0120774
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	183.0120774
Rotatable Bond Count:	2
Topological Polar Surface Area:	63.6
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0