Ethyl 4-Hydroxy-2-(methylthio)pyrimidine-5-carboxylate - CAS 53554-29-3
Catalog: |
BB028265 |
Product Name: |
Ethyl 4-Hydroxy-2-(methylthio)pyrimidine-5-carboxylate |
CAS: |
53554-29-3 |
Synonyms: |
2-(methylthio)-6-oxo-1H-pyrimidine-5-carboxylic acid ethyl ester; ethyl 2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxylate |
IUPAC Name: | ethyl 2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxylate |
Description: | Ethyl 4-Hydroxy-2-(methylthio)pyrimidine-5-carboxylate (CAS# 53554-29-3) is a useful research chemical. |
Molecular Weight: | 214.24 |
Molecular Formula: | C8H10N2O3S |
Canonical SMILES: | CCOC(=O)C1=CN=C(NC1=O)SC |
InChI: | InChI=1S/C8H10N2O3S/c1-3-13-7(12)5-4-9-8(14-2)10-6(5)11/h4H,3H2,1-2H3,(H,9,10,11) |
InChI Key: | HDIWKNXVBQPJCO-UHFFFAOYSA-N |
Boiling Point: | 340.4 °C at 760 mmHg |
Density: | 1.37 g/cm3 |
MDL: | MFCD00023234 |
LogP: | 1.08080 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-3287443-A1 | 6-membered heterocyclic derivative and pharmaceutical composition comprising same | 20150424 |
US-2018118694-A1 | 6-membered heterocyclic derivatives and pharmaceutical composition comprising the same | 20150424 |
WO-2016171249-A1 | 6-membered heterocyclic derivative and pharmaceutical composition comprising same | 20150424 |
US-10774051-B2 | 6-membered heterocyclic derivatives and pharmaceutical composition comprising the same | 20150424 |
WO-2015001567-A1 | Process for the preparation of (s)-4-[(3-chloro-4-methoxybenzyl)amino]-2-[2- (hydroxymethyl)-1-pyrrolidinyl]-n-(2-pyrimidinyl methyl-5-pyrimidine carboxamide | 20130701 |
Complexity: | 323 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 214.04121336 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 214.04121336 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 93.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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