 Home > Encyclopedia > 4-methylbenzenesulfonate;1,1,4-trimethyl-4-[2-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)ethylsulfanylmethyl]piperazine-1,4-diium

4-methylbenzenesulfonate;1,1,4-trimethyl-4-[2-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)ethylsulfanylmethyl]piperazine-1,4-diium

4-methylbenzenesulfonate;1,1,4-trimethyl-4-[2-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)ethylsulfanylmethyl]piperazine-1,4-diium structure

CAS No:
63978-62-1
Formula:
C45H68N4O12S5
Chemical Name:
4-methylbenzenesulfonate;1,1,4-trimethyl-4-[2-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)ethylsulfanylmethyl]piperazine-1,4-diium
Synonyms:
63978-62-1;Piperazinium, 1,1,4-trimethyl-4-(((2-(1,4,4-trimethylpiperazinium-1-yl)ethyl)thio)methyl)-, salt with 4-methylbenzenesulfonic acid (1:4);DTXSID40213819

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4-methylbenzenesulfonate;1,1,4-trimethyl-4-[2-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)ethylsulfanylmethyl]piperazine-1,4-diium Basic Attributes

Molecular Weight：

1017.4 g/mol

Exact Mass：

1016.34372948 g/mol

DSSTox ID：

DTXSID40213819

Characteristics

PSA：

288 Å²

Computed Properties

Molecular Weight:1017.4
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:5
Exact Mass:1016.34372948
Monoisotopic Mass:1016.34372948
Topological Polar Surface Area:288
Heavy Atom Count:66
Complexity:554
Covalently-Bonded Unit Count:5
Compound Is Canonicalized:Yes

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Guide of 4-methylbenzenesulfonate;1,1,4-trimethyl-4-[2-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)ethylsulfanylmethyl]piperazine-1,4-diium

Basic Attributes
Characteristics
Computed Properties

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