Pseudothiohydantoin - CAS 556-90-1

Name: Pseudothiohydantoin
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB029134
Product Name:	Pseudothiohydantoin
CAS:	556-90-1
Synonyms:	2-amino-1,3-thiazol-4-one

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Computed Properties

IUPAC Name:	2-amino-1,3-thiazol-4-one
Description:	Pseudothiohydantoin (CAS# 556-90-1) is a useful research chemical.
Molecular Weight:	116.14
Molecular Formula:	C3H4N2OS
Canonical SMILES:	C1C(=O)N=C(S1)N
InChI:	InChI=1S/C3H4N2OS/c4-3-5-2(6)1-7-3/h1H2,(H2,4,5,6)
InChI Key:	HYMJHROUVPWYNQ-UHFFFAOYSA-N
Boiling Point:	253.5 °C at 760 mmHg
Density:	1.78 g/cm³
Appearance:	White to yellowish fine needles or powder
MDL:	MFCD00003186
LogP:	-0.28960

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Related Functional Groups

Amines and Anilines

[556-90-1]C3H4N2OS
Pseudothiohydantoin
[1006473-17-1]C13H15F2N3
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[1106917-71-8]C8H10ClF2NO
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[932890-93-2]C16H17Cl2NO2
1-{4-[(2,4-Dichlorobenzyl)oxy]-3-ethoxyphenyl}methanamine
[1082066-00-9]C7H8N2O
1-Cyclopropyl-1H-pyrazole-4-carbaldehyde
[1951441-75-0]C8H13ClN2O
2-(6-Methoxypyridin-2-yl)ethan-1-amine hydrochloride

Thiazolines/Thiazolidines

[556-90-1]C3H4N2OS
Pseudothiohydantoin
[26312-94-7]C7H9NO3S
Ethyl (2Z)-(4-oxo-1,3-thiazolidin-2-ylidene)acetate
[138169-43-4]C20H17N5O6S2
MTS Reagent
[86240-28-0]C6H7NO2S2
(5Z)-5-(Ethoxymethylene)-2-thioxo-1,3-thiazolidin-4-one
[69570-82-7]C10H10FNO2S
2-(4-Fluorophenyl)-1,3-thiazolidine-4-carboxylic acid
[96-53-7]C3H5NS2
2-Thiazoline-2-thiol

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Publication Number	Title	Priority Date
WO-2015109248-A1	Read-through compound prodrugs suppressing premature nonsense mutations	20140116
US-2015196033-A1	Pesticidal compositions and processes related thereto	20120709
WO-2014011429-A1	Pesticidal compositions and processes related thereto	20120709
US-2015051251-A1	Premature-termination-codons readthrough compounds	20120323
WO-2013116052-A1	Pesticidal compositions and processes related thereto	20120202

PMID	Publication Date	Title	Journal
22223396	20120501	Design and synthesis of 2-iminothiazolidin-4-one moiety-containing compounds as potent antiproliferative agents	Archiv der Pharmazie
21782425	20110915	A novel binding assay identifies high affinity ligands to the rosiglitazone binding site of mitoNEET	Bioorganic & medicinal chemistry letters
21703731	20110901	Novel 2-thioxothiazolidin-4-one inhibitors of bacterial MurD ligase targeting D-Glu- and diphosphate-binding sites	European journal of medicinal chemistry
22072901	20110101	3D-QSAR studies on thiazolidin-4-one S1P₁receptor agonists by CoMFA and CoMSIA	International journal of molecular sciences
20446681	20100527	2-imino-thiazolidin-4-one derivatives as potent, orally active S1P1 receptor agonists	Journal of medicinal chemistry

Complexity:	131
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	116.00443393
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	116.00443393
Rotatable Bond Count:	0
Topological Polar Surface Area:	80.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.3