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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

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[87-88-7]
Chloranilic acid
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[55441-25-3]
1-(2-Cyanophenyl)urea

Furans

[364609-04-1]
5-[(2-Chlorophenoxy)methyl]furan-2-carboxylic acid
[438222-01-6]
5-[(2-Isopropyl-5-methylphenoxy)methyl]-2-furohydrazide
[438218-12-3]
5-[(2-Methoxyphenoxy)methyl]furan-2-carbaldehyde
[512809-77-7]
5-[(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]furan-2-carbaldehyde
[438221-54-6]
5-[(3-Bromophenoxy)methyl]furan-2-carbaldehyde
[438220-93-0]
5-[(Pentachlorophenoxy)methyl]-2-furaldehyde

Imidazoles

[152536-39-5]
1,4,5-Trimethyl-2-phenyl-1H-imidazole
[72799-34-9]
3-(2-Ethoxyphenyl)-2-Thioxoimidazolidin-4-One
[97403-83-3]
3-Allyl-1-methyl-2-thioxoimidazolidin-4-one
[676372-30-8]
1-Benzyl-1H-imidazole-4-carboxylic acid
[5317-07-7]
1-Benzyl-1H-imidazole-5-carboxylic acid
[64038-58-0]
1-Cyclohexyl-1,3-dihydro-2H-imidazole-2-thione

Sulfur Compounds

[71996-48-0]
1-Methyl-2-[(phenylsulfonyl)methyl]benzene
[162894-76-0]
2-Hydroxyethane-1-sulfonamide
[2170450-99-2]
4-Methyl-1-(phenylsulfonyl)-1H-indole-2-carbonitrile
[60-23-1]
Cysteamine
[1353995-46-6]
(R)-1-((2,4-Dichlorophenyl)sulfonyl)pyrrolidin-3-ol
[843673-72-3]
(R)-4-(1-((tert-Butoxycarbonyl)amino)-2-hydroxyethyl)phenyl trifluoromethanesulfonate

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