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2-(1,3-Dithiolan-2-ylidene)-1-phenyl-1,3-butanedione

2-(1,3-Dithiolan-2-ylidene)-1-phenyl-1,3-butanedione structure

CAS No:
74440-20-3
Formula:
C13H12O2S2
Chemical Name:
2-(1,3-Dithiolan-2-ylidene)-1-phenyl-1,3-butanedione
Synonyms:
1,3-Butanedione,2-(1,3-dithiolan-2-ylidene)-1-phenyl-;2-(1,3-Dithiolan-2-ylidene)-1-phenyl-1,3-butanedione;KZ 1026

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2-(1,3-Dithiolan-2-ylidene)-1-phenyl-1,3-butanedione Basic Attributes

Molecular Weight：

264.4 g/mol

Exact Mass：

264.36

DSSTox ID：

DTXSID20225450

Characteristics

PSA：

84.7 Å²

Melting Point：

131 °C @ Solvent: Ethanol

Drug Information

MeSH Entry Terms：

2-(1,3-dithiolan-2-ylidene)-1-phenyl-1,3-butanedione

Computed Properties

Molecular Weight:264.4
XLogP3:2.7
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:264.02787197
Monoisotopic Mass:264.02787197
Topological Polar Surface Area:84.7
Heavy Atom Count:17
Complexity:346
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-(1,3-Dithiolan-2-ylidene)-1-phenyl-1,3-butanedione

Basic Attributes
Characteristics
Drug Information
Computed Properties

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