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Ethyl 4-methyl-2-(methylthio)pyrimidine-5-carboxylate - 97%, high purity , CAS No.7234-25-5
Basic Description
Synonyms | AMY202003287 | CS-W003517 | D78027 | FT-0660633 | 4-(1-Methylethyl)benzene acetaldehyde | SB60576 | ethyl4-methyl-2-(methylthio)pyrimidine-5-carboxylate | ethyl 4-methyl-2-(methylsulfanyl)pyrimidine-5-carboxylate | Ethyl 4-Methyl-2-(methylthio)-5-pyrimidi |
Specifications & Purity | ≥97% |
Storage Temp | Store at 2-8°C |
Shipped In | Wet ice |
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Names and Identifiers
IUPAC Name | ethyl 4-methyl-2-methylsulfanylpyrimidine-5-carboxylate |
INCHI | InChI=1S/C9H12N2O2S/c1-4-13-8(12)7-5-10-9(14-3)11-6(7)2/h5H,4H2,1-3H3 |
InChi Key | LJDJKDAPYUXBPE-UHFFFAOYSA-N |
Canonical SMILES | CCOC(=O)C1=CN=C(N=C1C)SC |
Isomeric SMILES | CCOC(=O)C1=CN=C(N=C1C)SC |
PubChem CID | 188208 |
Molecular Weight | 212.27 |
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Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight | 212.270 g/mol |
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XLogP3 | 1.700 |
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Hydrogen Bond Donor Count | 0 |
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Hydrogen Bond Acceptor Count | 5 |
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Rotatable Bond Count | 4 |
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Exact Mass | 212.062 Da |
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Monoisotopic Mass | 212.062 Da |
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Topological Polar Surface Area | 77.400 Ų |
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Heavy Atom Count | 14 |
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Formal Charge | 0 |
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Complexity | 201.000 |
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Isotope Atom Count | 0 |
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Defined Atom Stereocenter Count | 0 |
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Undefined Atom Stereocenter Count | 0 |
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Defined Bond Stereocenter Count | 0 |
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Undefined Bond Stereocenter Count | 0 |
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The total count of all stereochemical bonds | 0 |
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Covalently-Bonded Unit Count | 1 |
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Safety and Hazards(GHS)
Signal | Warning |
Hazard Statements | H315:Causes skin irritation H335:May cause respiratory irritation H302:Harmful if swallowed H320:Causes eye irritation |
Precautionary Statements | P261:Avoid breathing dust/fume/gas/mist/vapors/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do - continue rinsing. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of water. P301+P312:IF SWALLOWED: call a POISON CENTER/doctor/... IF you feel unwell. |
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