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2-benzylsulfanyl-3-chloronaphthalene-1,4-dione

2-benzylsulfanyl-3-chloronaphthalene-1,4-dione structure

CAS No:
73816-81-6
Formula:
C17H11ClO2S
Chemical Name:
2-benzylsulfanyl-3-chloronaphthalene-1,4-dione
Synonyms:
2-Benzylthio-3-chloro-1,4-naphthoquinone;2-Chloro-3-benzylmercapto-1,4-naphthoquinone;73816-81-6;1,4-NAPHTHOQUINONE, 2-BENZYLTHIO-3-CHLORO-;NSC 222721;BRN 2590309;2-benzylsulfanyl-3-chloronaphthalene-1,4-dione;NSC222721;1, 2-benzylthio-3-chloro-;DTXSID90224253;ZINC1756561;WLN: L66 BV EVJ CS1R& DG;NSC-222721;1, 2-chloro-3-[(phenylmethyl)thio]-;1,4-Naphthalenedione, 2-chloro-3-((phenylmethyl)thio)- (9CI)

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2-benzylsulfanyl-3-chloronaphthalene-1,4-dione Basic Attributes

Molecular Weight：

314.8 g/mol

Exact Mass：

314.0168285 g/mol

NSC Number：

222721

DSSTox ID：

DTXSID90224253

Characteristics

PSA：

59.4 Å²

Computed Properties

Molecular Weight:314.8
XLogP3:4.5
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:314.0168285
Monoisotopic Mass:314.0168285
Topological Polar Surface Area:59.4
Heavy Atom Count:21
Complexity:465
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-benzylsulfanyl-3-chloronaphthalene-1,4-dione

Basic Attributes
Characteristics
Computed Properties

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