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4-hydroxy-3-sulfanylchromen-2-one

4-hydroxy-3-sulfanylchromen-2-one structure

CAS No:
69538-20-1
Formula:
C9H6O3S
Chemical Name:
4-hydroxy-3-sulfanylchromen-2-one
Synonyms:
4-Hydroxy-3-mercapto-cumarin; 2-hydroxy-3-sulfanylchromen-4-one; Thiol reductone; 2H-1-Benzopyran-2-one,4-hydroxy-3-mercapto; 3-Mercapto-4-hydroxycoumarin monohydrate; 3-mercapto-4-hydroxycoumarin; 4-hydroxy-3-mercapto-coumarin;Expand

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4-hydroxy-3-sulfanylchromen-2-one Basic Attributes

Molecular Weight：

194.20700

Exact Mass：

194.00376522

Characteristics

PSA：

89.24000

XLogP3：

1.78730

Density：

1.51g/cm3

Boiling Point：

284.1ºC

Flash Point：

125.6ºC

Refractive Index：

1.692

Drug Information

MeSH Entry Terms：

3-mercapto-4-hydroxycoumarin monohydrate

Computed Properties

Molecular Weight:194.21
XLogP3:1.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Exact Mass:194.00376522
Monoisotopic Mass:194.00376522
Topological Polar Surface Area:47.5
Heavy Atom Count:13
Complexity:272
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-hydroxy-3-sulfanylchromen-2-one

Basic Attributes
Characteristics
Drug Information
Computed Properties

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