Methylthiohydantoin - CAS 694-68-8

Catalog:	BB047180
Product Name:	Methylthiohydantoin
CAS:	694-68-8
Synonyms:	3-methyl-2-thioxoimidazolidin-4-one; 3-methyl thiohydantoin

Technical Data

Computed Properties

IUPAC Name:	3-methyl-2-sulfanylideneimidazolidin-4-one
Description:	Methylthiohydantoin (CAS# 694-68-8 ) is a useful research chemical.
Molecular Weight:	130.17
Molecular Formula:	C4H6N2OS
Canonical SMILES:	CN1C(=O)CNC1=S
InChI:	InChI=1S/C4H6N2OS/c1-6-3(7)2-5-4(6)8/h2H2,1H3,(H,5,8)
InChI Key:	MEJHYNPOIFOIIU-UHFFFAOYSA-N
Boiling Point:	176.8 °C at 760 mmHg
Purity:	96 %
Density:	1.4 g/cm³
Appearance:	Yellow-brown solid
Storage:	2-8 °C

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate

Imidazoles

[1005626-64-1]
3-(1,3-Dimethylpyrazol-4-yl)-5-[(1-methylpyrazol-4-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
[64038-58-0]
1-Cyclohexyl-1,3-dihydro-2H-imidazole-2-thione
[53525-60-3]
Ethyl 1-trityl-1H-imidazole-4-carboxylate
[1011398-11-0]
Ethyl 2-(1H-imidazol-1-yl)butanoate
[177760-04-2]
Ethyl 2-Amino-1-methyl-1H-imidazole-5-carboxylate
[70851-51-3]
N-(Trimethoxysilylpropyl)Imidazole

Sulfur Compounds

[162894-76-0]
2-Hydroxyethane-1-sulfonamide
[15863-41-9]
4-(Methylthio)phenyl isothiocyanate
[832739-73-8]
4-(3,5-Dichlorophenyl)pyrimidine-2-thiol
[156-57-0]
Cysteamine hydrochloride
[690-76-6]
tert-Butyl 3-amino-3-thioxopropanoate
[828291-81-2]
5-(3-((2-Bromophenoxy)methyl)phenyl)-4-ethyl-4H-1,2,4-triazole-3-thiol

Complexity:	145
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	130.02008399
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	130.02008399
Rotatable Bond Count:	0
Topological Polar Surface Area:	64.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.3