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2-ISOTHIOCHROMAN-4-ONE

2-ISOTHIOCHROMAN-4-ONE structure

CAS No:
4426-76-0
Formula:
C9H8OS
Chemical Name:
2-ISOTHIOCHROMAN-4-ONE
Synonyms:
Isothiochromanone;Isothiochroman-4-one;2-ISOTHIOCHROMAN-4-ONE;1H-isothiochromen-4-one;2-Thioisochroman-4-one,98%;1H-2-Benzothiopyran-4(3H)-one
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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2-ISOTHIOCHROMAN-4-ONE Basic Attributes

Molecular Weight：

164.22400

Exact Mass：

164.03000

NSC Number：

208878

DSSTox ID：

DTXSID20196090

HScode：

2932999099

Characteristics

PSA：

42.37000

XLogP3：

2.11610

Density：

1.241g/cm3

Melting Point：

56-57ºC

Boiling Point：

315.1ºC at 760 mmHg

Flash Point：

173.3ºC

Refractive Index：

1.624

Safety Information

safety instructions：

S22-S24/25

Drug Information

MeSH Entry Terms：

isothiochromanone

Computed Properties

Molecular Weight:164.23
XLogP3:1.9
Hydrogen Bond Acceptor Count:2
Exact Mass:164.02958605
Monoisotopic Mass:164.02958605
Topological Polar Surface Area:42.4
Heavy Atom Count:11
Complexity:167
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 4426-76-0

Grade: Industrial Grade

Content: 99%

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