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2-ACETYL-3,5-DIMETHYLBENZO(B)THIOPHENE

2-ACETYL-3,5-DIMETHYLBENZO(B)THIOPHENE structure

CAS No:
6179-05-1
Formula:
C12H12OS
Chemical Name:
2-ACETYL-3,5-DIMETHYLBENZO(B)THIOPHENE
Synonyms:
2-Acetyl-3,5-dimethylbenzo(b)thiophene;Ethanone,1-(3,5-dimethylbenzo[b]thien-2-yl)-;2-acetyl-3,5-dimethylbenzo[b]thiophene;Maybridge1_005456;1-(3,5-Dimethylbenzo[b]thiophen-2-yl)ethanone;CTK5B3717;HMS556P22;DTXSID20345521;ZINC172265;AKOS009158871

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2-ACETYL-3,5-DIMETHYLBENZO(B)THIOPHENE Basic Attributes

Molecular Weight：

204.29

Exact Mass：

204.06100

DSSTox ID：

DTXSID20345521

HScode：

2934999090

Characteristics

PSA：

45.3

XLogP3：

3.72070

Density：

1.153g/cm3

Melting Point：

79-81°C

Boiling Point：

334.5ºC at 760 mmHg

Flash Point：

156.1ºC

Refractive Index：

1.619

Safety Information

hazard class code：

36/37/38

safety instructions：

26-36/37/39

Computed Properties

Molecular Weight:204.29
XLogP3:3.7
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:204.06088618
Monoisotopic Mass:204.06088618
Topological Polar Surface Area:45.3
Heavy Atom Count:14
Complexity:239
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-ACETYL-3,5-DIMETHYLBENZO(B)THIOPHENE

Basic Attributes
Characteristics
Safety Information
Computed Properties

2-ACETYL-3,5-DIMETHYLBENZO(B)THIOPHENE

SDS

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