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4-Amino-2-methoxy-5-thiocyanatobenzoic acid methyl ester

4-Amino-2-methoxy-5-thiocyanatobenzoic acid methyl ester - CAS 59168-56-8

Catalog:	BB053844
Product Name:	4-Amino-2-methoxy-5-thiocyanatobenzoic acid methyl ester
CAS:	59168-56-8
Synonyms:	4-Amino-2-methoxy-5-thiocyanatobenzoic acid methyl ester; Methyl 4-amino-2-methoxy-5-thiocyanobenzoate

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	methyl 4-amino-2-methoxy-5-thiocyanatobenzoate
Molecular Weight:	238.26
Molecular Formula:	C10H10N2O3S
Canonical SMILES:	COC1=CC(=C(C=C1C(=O)OC)SC#N)N
InChI:	InChI=1S/C10H10N2O3S/c1-14-8-4-7(12)9(16-5-11)3-6(8)10(13)15-2/h3-4H,12H2,1-2H3
InChI Key:	IRGMWPMUTWZIIJ-UHFFFAOYSA-N
Boiling Point:	422.0±45.0 °C at 760 mmHg
Density:	1.4±0.1 g/cm3
Appearance:	Yellow Solid

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Related Functional Groups

Amines and Anilines

[1106917-71-8]
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[1225940-17-9]
1-(3-Chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazole-5-ylamine
[932890-93-2]
1-{4-[(2,4-Dichlorobenzyl)oxy]-3-ethoxyphenyl}methanamine
[1082066-00-9]
1-Cyclopropyl-1H-pyrazole-4-carbaldehyde
[1824357-78-9]
2-(1-Benzyl-3-pyrazolyl)ethylamine
[1951441-75-0]
2-(6-Methoxypyridin-2-yl)ethan-1-amine hydrochloride

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-

Sulfur Compounds

[123-43-3]
Sulfoacetic acid
[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
[15863-41-9]
4-(Methylthio)phenyl isothiocyanate
[832739-73-8]
4-(3,5-Dichlorophenyl)pyrimidine-2-thiol

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement:	P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364
Signal Word:	Warning

Complexity:	302
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	238.04121336
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	238.04121336
Rotatable Bond Count:	4
Topological Polar Surface Area:	111
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6