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2-(Methylthio)-5-pyrimidinecarboxylic acid ethyl ester

2-(Methylthio)-5-pyrimidinecarboxylic acid ethyl ester structure

CAS No:
73781-88-1
Formula:
C8H10N2O2S
Chemical Name:
2-(Methylthio)-5-pyrimidinecarboxylic acid ethyl ester
Synonyms:
2-METHYLTHIO-5-PYRIMIDINECARBOXYLIC ACID ETHYL ESTER;ETHYL-2-THIOMETHYL-PYRIMIDINE-5-CARBOXYLATE;Ethyl 2-(methylthio)-5-pyrimidinecarboxylate;ETHYL 2-(METHYLTHIO)PYRIMIDINE-5-CARBOXYLATE;ETHYL-2-THIOMETHYL-PYRIMIDINE-5-CAROXYLATE;2-(Methylthio)-5-pyr;Ethyl 2-(methylsulphanyl)pyrimidine-5-carboxylate, Ethyl 2-(methylmercapto)pyrimidine-5-carboxylate;2-Methylsulfanyl-pyriMidine-5-carboxylic acid
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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2-(Methylthio)-5-pyrimidinecarboxylic acid ethyl ester Basic Attributes

Molecular Weight：

198.24

Exact Mass：

198.046295

EC Number：

1533716-785-6

DSSTox ID：

DTXSID60439953

HScode：

2933599090

Characteristics

PSA：

77.4

XLogP3：

2.06

Density：

1.3±0.1 g/cm3

Melting Point：

38-40 °C

Boiling Point：

313.5±15.0 °C at 760 mmHg

Flash Point：

143.4±20.4 °C

Refractive Index：

1.552

Safety Information

hazard class code：

36/37/38

safety instructions：

26-36/37/39

GHS Classification：

|Warning|H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]|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|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:198.24
XLogP3:1.4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:198.04629874
Monoisotopic Mass:198.04629874
Topological Polar Surface Area:77.4
Heavy Atom Count:13
Complexity:170
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Widely Used 2-(Methylthio)-5-pyrimidinecarboxylic acid ethyl ester 73781-88-1

CAS No.: 73781-88-1

Grade: Pharmaceutical Grade

Content: 99%

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Guide of 2-(Methylthio)-5-pyrimidinecarboxylic acid ethyl ester

Basic Attributes
Characteristics
Safety Information
Computed Properties
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2-(Methylthio)-5-pyrimidinecarboxylic acid ethyl ester

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