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3-(2-Furylmethyl)-2-mercapto-3,5-dihydro-4H-imidazol-4-one

3-(2-Furylmethyl)-2-mercapto-3,5-dihydro-4H-imidazol-4-one - CAS 287917-54-8

Catalog:	BB052615
Product Name:	3-(2-Furylmethyl)-2-mercapto-3,5-dihydro-4H-imidazol-4-one
CAS:	287917-54-8
Synonyms:	3-(2-furylmethyl)-2-thioxo-1,3-diazolidin-4-one

Technical Data

Computed Properties

IUPAC Name:	3-(furan-2-ylmethyl)-2-sulfanylideneimidazolidin-4-one
Molecular Weight:	196.23
Molecular Formula:	C8H8N2O2S
Canonical SMILES:	C1C(=O)N(C(=S)N1)CC2=CC=CO2
InChI:	InChI=1S/C8H8N2O2S/c11-7-4-9-8(13)10(7)5-6-2-1-3-12-6/h1-3H,4-5H2,(H,9,13)
InChI Key:	OZBUFJLQIGRHCQ-UHFFFAOYSA-N
Boiling Point:	300.5±44.0 °C at 760 mmHg
Density:	1.4±0.1 g/cm3

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Related Functional Groups

Carbonyl Compounds

[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[438616-66-1]
2-(4-Tert-Butylphenyl)cyclopropanecarbohydrazide

Furans

[1184060-24-9]
5-[(4-Aminophenoxy)methyl]furan-2-carboxylic acid
[438219-08-0]
5-[(4-Chlorophenoxy)methyl]furan-2-carbaldehyde
[364628-38-6]
5-[(4-Chlorophenoxy)methyl]furan-2-carbohydrazide
[937598-55-5]
6-(Furan-2-yl)-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carbohydrazide
[893645-73-3]
6-(Furan-2-yl)-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[827594-60-5]
Ethyl 5-(4-fluorophenyl)-7-(1,1,2,2,2-pentafluoroethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate

Imidazoles

[54004-47-6]
1-Tetradecylimidazole
[97403-83-3]
3-Allyl-1-methyl-2-thioxoimidazolidin-4-one
[74840-99-6]
ethyl 4,5-dibromo-1H-imidazole-2-carboxylate
[53525-60-3]
Ethyl 1-trityl-1H-imidazole-4-carboxylate
[1011398-11-0]
Ethyl 2-(1H-imidazol-1-yl)butanoate
[287917-54-8]
3-(2-Furylmethyl)-2-mercapto-3,5-dihydro-4H-imidazol-4-one

Sulfur Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[71996-48-0]
1-Methyl-2-[(phenylsulfonyl)methyl]benzene
[1005626-64-1]
3-(1,3-Dimethylpyrazol-4-yl)-5-[(1-methylpyrazol-4-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
[2039-96-5]
3-(Trimethylsilyl)-1-propanesulfonic acid sodium salt
[832739-73-8]
4-(3,5-Dichlorophenyl)pyrimidine-2-thiol
[5310-68-9]
4-Chlorophenylsulphur pentafluoride

Complexity:	244
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	196.03064868
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	196.03064868
Rotatable Bond Count:	2
Topological Polar Surface Area:	77.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3