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Home > Encyclopedia > 6,6-dimethyl-3-methylsulfanyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carbonitrile

6,6-dimethyl-3-methylsulfanyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carbonitrile

6,6-dimethyl-3-methylsulfanyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carbonitrile structure

6,6-dimethyl-3-methylsulfanyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carbonitrile 

structure
  • CAS No:

    175202-50-3

  • Formula:

    C12H13NOS2

  • Chemical Name:

    6,6-dimethyl-3-methylsulfanyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carbonitrile

  • Synonyms:

    HMS554L06;

6,6-dimethyl-3-methylsulfanyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carbonitrile Basic Attributes

251.36800

251.04385639

DTXSID10381110

2934999090

Characteristics

94.40000

3.49678

1.27g/cm3

172-175ºC

392.6ºC at 760 mmHg

191.3ºC

1.607

2.26E-06mmHg at 25°C

Safety Information

UN 3439

R20/21/22

S36/37

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P311, P312, P321, P322, P330, P361, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:251.4
XLogP3:3.4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:251.04385639
Monoisotopic Mass:251.04385639
Topological Polar Surface Area:94.4
Heavy Atom Count:16
Complexity:357
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of 6,6-dimethyl-3-methylsulfanyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carbonitrile

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