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1-methyl-3-[4-(2-sulfosulfanylethylamino)butoxy]benzene

1-methyl-3-[4-(2-sulfosulfanylethylamino)butoxy]benzene structure

CAS No:
21224-80-6
Formula:
C13H21NO4S2
Chemical Name:
1-methyl-3-[4-(2-sulfosulfanylethylamino)butoxy]benzene
Synonyms:
21224-80-6;WR 2941;BRN 2144023;s-(2-{[4-(3-methylphenoxy)butyl]amino}ethyl) hydrogen sulfurothioate;S-2-((4-(m-Tolyloxy)butyl)amino)ethyl thiosulfate;DTXSID90943634;2-((4-(m-Tolyloxy)butyl)amino)ethanethiol hydrogen sulfate (ester);Ethanethiol, 2-(4-(m-tolyloxy)butyl)amino-, hydrogen sulfate (ester);Thiosulfuric acid, S-(2-((4-(m-tolyloxy)butyl)amino)ethyl) ester;ZINC31570239;A4993;2-[4-(m-Tolyloxy)butyl]aminoethanethiol sulfate

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1-methyl-3-[4-(2-sulfosulfanylethylamino)butoxy]benzene Basic Attributes

Molecular Weight：

319.4 g/mol

Exact Mass：

319.09120050 g/mol

Characteristics

PSA：

109 Å²

XLogP3：

3.7513

Computed Properties

Molecular Weight:319.4
XLogP3:-0.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:10
Exact Mass:319.09120050
Monoisotopic Mass:319.09120050
Topological Polar Surface Area:109
Heavy Atom Count:20
Complexity:343
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-methyl-3-[4-(2-sulfosulfanylethylamino)butoxy]benzene

Basic Attributes
Characteristics
Computed Properties

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