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ethyl 2-[6-(3-methylphenyl)sulfanylpurin-9-yl]acetate

ethyl 2-[6-(3-methylphenyl)sulfanylpurin-9-yl]acetate structure

CAS No:
646509-74-2
Formula:
C16H16N4O2S
Chemical Name:
ethyl 2-[6-(3-methylphenyl)sulfanylpurin-9-yl]acetate
Synonyms:
646509-74-2;CHEMBL177277;DTXSID90333036;9H-Purine-9-acetic acid, 6-[(3-methylphenyl)thio]-, ethyl ester;ethyl 2-[6-(m-tolylsulfanyl)purin-9-yl]acetate;Ethyl 2-(6-(m-tolylthio)-9H-purin-9-yl)acetate

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ethyl 2-[6-(3-methylphenyl)sulfanylpurin-9-yl]acetate Basic Attributes

Molecular Weight：

328.4 g/mol

Exact Mass：

328.09939694 g/mol

DSSTox ID：

DTXSID90333036

Characteristics

PSA：

95.2 Å²

Computed Properties

Molecular Weight:328.4
XLogP3:3.2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:328.09939694
Monoisotopic Mass:328.09939694
Topological Polar Surface Area:95.2
Heavy Atom Count:23
Complexity:412
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of ethyl 2-[6-(3-methylphenyl)sulfanylpurin-9-yl]acetate

Basic Attributes
Characteristics
Computed Properties
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