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5-ACETYL-3,4-DIMETHYLTHIENO[2,3-B]THIOPHENE-2-CARBONITRILE

5-ACETYL-3,4-DIMETHYLTHIENO[2,3-B]THIOPHENE-2-CARBONITRILE structure

CAS No:
845266-23-1
Formula:
C11H9NOS2
Chemical Name:
5-ACETYL-3,4-DIMETHYLTHIENO[2,3-B]THIOPHENE-2-CARBONITRILE
Synonyms:
5-acetyl-3,4-dimethylthieno[2,3-b]thiophene-2-carbonitrile;Maybridge1_004566;CTK5F2559;HMS554H12;DTXSID00384852;ZINC125559;CCG-254050;MCULE-2450903935;FT-0702654;Thieno[2,3-b]thiophene-2-carbonitrile,5-acetyl-3,4-dimethyl-

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5-ACETYL-3,4-DIMETHYLTHIENO[2,3-B]THIOPHENE-2-CARBONITRILE Basic Attributes

Molecular Weight：

235.33

Exact Mass：

235.01300

DSSTox ID：

DTXSID00384852

Characteristics

PSA：

97.3

XLogP3：

3.65388

Density：

1.33g/cm3

Boiling Point：

421.6ºC at 760 mmHg

Flash Point：

208.8ºC

Refractive Index：

1.645

Computed Properties

Molecular Weight:235.3
XLogP3:3.8
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:235.01255626
Monoisotopic Mass:235.01255626
Topological Polar Surface Area:97.3
Heavy Atom Count:15
Complexity:335
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-ACETYL-3,4-DIMETHYLTHIENO[2,3-B]THIOPHENE-2-CARBONITRILE

Basic Attributes
Characteristics
Computed Properties

5-ACETYL-3,4-DIMETHYLTHIENO[2,3-B]THIOPHENE-2-CARBONITRILE

SDS

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