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Home > Encyclopedia > 3-(tert-Butyl)phenylcarbonochloridothioate

3-(tert-Butyl)phenylcarbonochloridothioate

3-(tert-Butyl)phenylcarbonochloridothioate structure

3-(tert-Butyl)phenylcarbonochloridothioate 

structure
  • CAS No:

    97986-06-6

  • Formula:

    C11H13ClOS

  • Chemical Name:

    3-(tert-Butyl)phenylcarbonochloridothioate

  • Synonyms:

    chloromethanethioic acid O-(3-tert-butylphenyl) ester;3-TERT-BUTYLPHENYL CHLOROTHIONOFORMATE, 93;3-t-Butylphenylchorothioformate;3-TERT-BUTYLPHENYL CHLOROTHIONOFORMATE, 93%;O-(3-tert-Butylphenyl)chlorothioformate;3-(tert-Butyl)phenyl carbonochloridothioate;Chlorothioformic acid O-[3-(tert-butyl)phenyl] ester;O-3-T-BUTYLPHENYLCHLOROTHIOFORMATE

3-(tert-Butyl)phenylcarbonochloridothioate Basic Attributes

228.74

228.0375639 g/mol

DTXSID30350808

Characteristics

41.3 Ų

1.123 g/mL at 25 °C(lit.)

278.5±19.0 °C(Predicted)

n20/D 1.549(lit.)

Safety Information

III

8

UN 2922 8/PG 2

3

23/24/25-34

26-27-36/37/39-45

T

Computed Properties

Molecular Weight:228.74
XLogP3:4.8
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:228.0375639
Monoisotopic Mass:228.0375639
Topological Polar Surface Area:41.3
Heavy Atom Count:14
Complexity:210
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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