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

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

CAS No:
33076-35-6
Formula:
C20H26Cl2N2OS2
Chemical Name:
1-methyl-4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-oxidopiperazin-1-ium;dihydrochloride
Synonyms:
33076-35-6;DTXSID20954697;Piperazine, 1-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-4-methyl-, 4-oxide, hydrochloride, hydrate (1:2:1);1-Methyl-4-[8-(methylsulfanyl)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]-1-oxo-1lambda~5~-piperazine--hydrogen chloride (1/2)

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

Molecular Weight：

445.5 g/mol

Exact Mass：

444.0863612 g/mol

Characteristics

PSA：

71.9 Å²

Computed Properties

Molecular Weight:445.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:444.0863612
Monoisotopic Mass:444.0863612
Topological Polar Surface Area:71.9
Heavy Atom Count:27
Complexity:455
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:3
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;dihydrochloride

Basic Attributes
Characteristics
Computed Properties

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