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ethyl 2-[(3,4-dichlorophenyl)methylsulfanyl]-6-oxo-1H-pyrimidine-5-carboxylate

ethyl 2-[(3,4-dichlorophenyl)methylsulfanyl]-6-oxo-1H-pyrimidine-5-carboxylate structure

CAS No:
6944-74-7
Formula:
C14H12Cl2N2O3S
Chemical Name:
ethyl 2-[(3,4-dichlorophenyl)methylsulfanyl]-6-oxo-1H-pyrimidine-5-carboxylate
Synonyms:
6944-74-7;NSC58980;NCIOpen2_007895;DTXSID90289089;NSC-58980;ZINC17316209;Ethyl 2-[3,4-dichlorobenzylthio]-4-hydroxy-5-pyrimidinecarboxylate;Ethyl 2-[(3,4-dichlorobenzyl)sulfanyl]-4-hydroxy-5-pyrimidinecarboxylate #;Ethyl 2-{[(3,4-dichlorophenyl)methyl]sulfanyl}-6-oxo-1,6-dihydropyrimidine-5-carboxylate

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ethyl 2-[(3,4-dichlorophenyl)methylsulfanyl]-6-oxo-1H-pyrimidine-5-carboxylate Basic Attributes

Molecular Weight：

359.2 g/mol

Exact Mass：

357.9945688 g/mol

NSC Number：

58980

DSSTox ID：

DTXSID90289089

Characteristics

PSA：

93.1 Å²

Computed Properties

Molecular Weight:359.2
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:357.9945688
Monoisotopic Mass:357.9945688
Topological Polar Surface Area:93.1
Heavy Atom Count:22
Complexity:510
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of ethyl 2-[(3,4-dichlorophenyl)methylsulfanyl]-6-oxo-1H-pyrimidine-5-carboxylate

Basic Attributes
Characteristics
Computed Properties
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