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4-[3-(2-hydroxyethoxymethyl)-5-methyl-2,6-dioxopyrimidin-4-yl]sulfanylbenzonitrile

4-[3-(2-hydroxyethoxymethyl)-5-methyl-2,6-dioxopyrimidin-4-yl]sulfanylbenzonitrile structure

CAS No:
125056-69-1
Formula:
C15H15N3O4S
Chemical Name:
4-[3-(2-hydroxyethoxymethyl)-5-methyl-2,6-dioxopyrimidin-4-yl]sulfanylbenzonitrile
Synonyms:
4'-CNHEPT;125056-69-1;6-((4-Cyanophenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine;6-[(4-Cyanophenyl)thio]-1-[(2-hydroxyethoxy)methyl]thymine;ACMC-20mrbc;CHEMBL116556;DTXSID70154600;Benzonitrile,4-[[1,2,3,6-tetrahydro-3-[(2-hydroxyethoxy)methyl]-5-methyl-2,6-dioxo-4-pyrimidinyl]thio]-;6-(4-Cyanophenylthio)-1-(2-hydroxyethoxymethyl)thymine;4-[3-(2-hydroxyethoxymethyl)-5-methyl-2,6-dioxo-pyrimidin-4-yl]sulfanylbenzonitrile

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4-[3-(2-hydroxyethoxymethyl)-5-methyl-2,6-dioxopyrimidin-4-yl]sulfanylbenzonitrile Basic Attributes

Molecular Weight：

333.4 g/mol

Exact Mass：

333.07832714 g/mol

DSSTox ID：

DTXSID70154600

Characteristics

PSA：

128 Å²

Computed Properties

Molecular Weight:333.4
XLogP3:0.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:333.07832714
Monoisotopic Mass:333.07832714
Topological Polar Surface Area:128
Heavy Atom Count:23
Complexity:546
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-[3-(2-hydroxyethoxymethyl)-5-methyl-2,6-dioxopyrimidin-4-yl]sulfanylbenzonitrile

Basic Attributes
Characteristics
Computed Properties

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