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ethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]octanoate

ethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]octanoate structure

CAS No:
87733-47-9
Formula:
C13H21N3O4S
Chemical Name:
ethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]octanoate
Synonyms:
NSC307185;87733-47-9;ethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]octanoate;DTXSID00316835;NSC-307185;DS-000664

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ethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]octanoate Basic Attributes

Molecular Weight：

315.39 g/mol

Exact Mass：

315.12527733 g/mol

NSC Number：

307185

DSSTox ID：

DTXSID00316835

Characteristics

PSA：

122 Å²

Computed Properties

Molecular Weight:315.39
XLogP3:3.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:10
Exact Mass:315.12527733
Monoisotopic Mass:315.12527733
Topological Polar Surface Area:122
Heavy Atom Count:21
Complexity:426
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of ethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]octanoate

Basic Attributes
Characteristics
Computed Properties
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