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1-methyl-4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-oxidopiperazin-1-ium

1-methyl-4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-oxidopiperazin-1-ium structure

CAS No:
102233-03-4
Formula:
C20H24N2OS2
Chemical Name:
1-methyl-4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-oxidopiperazin-1-ium
Synonyms:
102233-03-4;BRN 0899556;1-(10,11-Dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-4-methylpiperazine-4-oxide;Piperazine, 1-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-4-methyl-, 4-N-oxide;DTXSID80907265;AKOS005065866;1-[10,11-Dihydro-8-(methylthio)dibenzo[b,f]thiepin-10-yl]-4-methylpiperazine 4-oxide;1-Methyl-4-[8-(methylsulfanyl)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]-1-oxo-1lambda~5~-piperazine

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1-methyl-4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-oxidopiperazin-1-ium Basic Attributes

Molecular Weight：

372.6 g/mol

Exact Mass：

372.13300574 g/mol

Characteristics

PSA：

71.9 Å²

Computed Properties

Molecular Weight:372.6
XLogP3:3.7
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:372.13300574
Monoisotopic Mass:372.13300574
Topological Polar Surface Area:71.9
Heavy Atom Count:25
Complexity:455
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-methyl-4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-oxidopiperazin-1-ium

Basic Attributes
Characteristics
Computed Properties

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