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Ethyl 2-(Methylthio)pyrimidine-5-carboxylate

Ethyl 2-(Methylthio)pyrimidine-5-carboxylate - CAS 73781-88-1

Catalog:	BB034914
Product Name:	Ethyl 2-(Methylthio)pyrimidine-5-carboxylate
CAS:	73781-88-1
Synonyms:	2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester; ethyl 2-methylsulfanylpyrimidine-5-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	ethyl 2-methylsulfanylpyrimidine-5-carboxylate
Description:	Ethyl 2-(Methylthio)pyrimidine-5-carboxylate (CAS# 73781-88-1) is a useful research chemical.
Molecular Weight:	198.24
Molecular Formula:	C8H10N2O2S
Canonical SMILES:	CCOC(=O)C1=CN=C(N=C1)SC
InChI:	InChI=1S/C8H10N2O2S/c1-3-12-7(11)6-4-9-8(13-2)10-5-6/h4-5H,3H2,1-2H3
InChI Key:	LVNRRUKCFUSBDL-UHFFFAOYSA-N
Boiling Point:	313.5 °C at 760 mmHg
Density:	1.24 g/cm³
Appearance:	White or light yellow crystalline powder
LogP:	1.37520

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[87-88-7]
Chloranilic acid
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid

GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	170
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	198.04629874
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	198.04629874
Rotatable Bond Count:	4
Topological Polar Surface Area:	77.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4