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2-(1,3-benzothiazol-2-ylsulfanyl)-1-(4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethanone

2-(1,3-benzothiazol-2-ylsulfanyl)-1-(4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethanone structure

CAS No:
303175-12-4
Formula:
C21H16N2OS5
Chemical Name:
2-(1,3-benzothiazol-2-ylsulfanyl)-1-(4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethanone
Synonyms:
5-[(1,3-benzothiazol-2-ylthio)acetyl]-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione;C21H16N2OS5;ZINC2748841;STK001087;AKOS001639257;MCULE-1541598199;SR-01000465592;SR-01000465592-1;2-(1,3-benzothiazol-2-ylsulfanyl)-1-(4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethanone;303175-12-4

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2-(1,3-benzothiazol-2-ylsulfanyl)-1-(4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethanone Basic Attributes

Molecular Weight：

472.7 g/mol

Exact Mass：

471.98661901 g/mol

Characteristics

PSA：

169 Å²

XLogP3：

7.2548

Melting Point：

201 - 202 °C (toluene)

Computed Properties

Molecular Weight:472.7
XLogP3:5.4
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:471.98661901
Monoisotopic Mass:471.98661901
Topological Polar Surface Area:169
Heavy Atom Count:29
Complexity:739
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethanone

Basic Attributes
Characteristics
Computed Properties

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