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2-Acetylbenzothiophene

2-Acetylbenzothiophene structure

CAS No:
22720-75-8
Formula:
C10H8OS
Chemical Name:
2-Acetylbenzothiophene
Synonyms:
Ethanone,1-benzo[b]thien-2-yl-;Ketone,benzo[b]thien-2-yl methyl;1-Benzo[b]thien-2-ylethanone;2-Acetylbenzothiophene;2-Acetylbenzo[b]thiophene;1-(Benzo[b]thiophen-2-yl)ethan-1-one;1-Benzo[b]thiophen-2-ylethanone;1-(Benzothiophen-2-yl)ethanone;1-(Benzothien-2-yl)ethanone;1-(1-Benzothiophen-2-yl)ethan-1-one;1-(1-Benzothiophen-2-yl)ethanone
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

white to light yellow crystal powder

2-Acetylbenzothiophene Basic Attributes

Molecular Weight：

176.23

Exact Mass：

176.23

EC Number：

245-177-7

UNII：

ZC5EPE32DF

DSSTox ID：

DTXSID3057692

HScode：

29349990

Characteristics

PSA：

45.3

XLogP3：

Appearance：

white to light yellow crystal powder

Density：

1.2±0.1 g/cm3

Melting Point：

88-89 °C

Boiling Point：

304.5°C at 760 mmHg

Flash Point：

138.0±20.4 °C

Refractive Index：

1.647

Storage Conditions：

Refrigerator

Vapor Pressure：

0.00087mmHg at 25°C

Safety Information

Hazard category：

Transport codes：

3077

wgk germany：

hazard class code：

20/21/22-22

safety instructions：

36-24/25

Marks：

Precautionary statement(s)：

P301 + P312 + P330

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (95.45%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 58 companies from 7 notifications to the ECHA C&L Inventory.

Drug Information

Metabolism/Metabolites：

2-acetylbenzothiophene has known human metabolites that include 1-(1-oxo-2,3,3a,4,5,6,7,7a-octahydro-1-benzothiophen-2-yl)ethanol.

MeSH Entry Terms：

2-ABT cpd

2-Acetylbenzothiophene Use and Manufacturing

A novel anti-osteoporosis agent, by enhansing expression of the BMP-2 gene.

Computed Properties

Molecular Weight:176.24
XLogP3:3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:176.02958605
Monoisotopic Mass:176.02958605
Topological Polar Surface Area:45.3
Heavy Atom Count:12
Complexity:190
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Butyllithium

Dimethylacetamide

Nitrogen

Recommended Suppliers of 2-Acetylbenzothiophene

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2-Acetylbenzo[b]thiophene

CAS No.: 22720-75-8

Content: 99.00%

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