Thiomorpholine-3-carboxylic Acid - CAS 20960-92-3

Catalog:	BB016458
Product Name:	Thiomorpholine-3-carboxylic Acid
CAS:	20960-92-3
Synonyms:	3-thiomorpholinecarboxylic acid; thiomorpholine-3-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	thiomorpholine-3-carboxylic acid
Description:	Thiomorpholine-3-carboxylic Acid (CAS# 20960-92-3) is a useful research chemical.
Molecular Weight:	147.20
Molecular Formula:	C5H9NO2S
Canonical SMILES:	C1CSCC(N1)C(=O)O
InChI:	InChI=1S/C5H9NO2S/c7-5(8)4-3-9-2-1-6-4/h4,6H,1-3H2,(H,7,8)
InChI Key:	JOKIQGQOKXGHDV-UHFFFAOYSA-N
Boiling Point:	334.6 °C at 760 mmHg
Density:	1.288 g/cm³
Appearance:	White to yellow and faint beige to beige and faint brown to brown powder or crystals
MDL:	MFCD02181162
LogP:	0.10480

Publication Number	Title	Priority Date
WO-2015164289-A1	Compositions and methods for the treatment of fungal infections	20140421
WO-2015035102-A2	Compositions and methods for the treatment of fungal infections	20130904
WO-2014029102-A1	Thiazine amide derivative and pharmaceutical composition and use thereof	20120824
US-2013281324-A1	Bi-functinal complexes and methods for making and using such complexes	20100416
EP-2523960-A1	Heterocyclic carboxylic acid derivatives having a 2,5-substituted oxazolopyrimidine ring	20100114

PMID	Publication Date	Title	Journal
16534801	20060801	High-performance liquid chromatographic enantioseparation of unusual secondary amino acids on a D-penicillamine-based chiral ligand exchange column	Chirality
12831204	20020301	Application of a new chiral derivatizing agent to the enantioseparation of secondary amino acids	Journal of chromatography. A

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride

GHS Hazard Statement:	H302+H312+H332 (97.44%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	118
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	147.03539970
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	147.03539970
Rotatable Bond Count:	1
Topological Polar Surface Area:	74.6 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	-2.4