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Home > Encyclopedia > 3-[(2-Thienylthio)methyl]benzoic acid

3-[(2-Thienylthio)methyl]benzoic acid

3-[(2-Thienylthio)methyl]benzoic acid structure

3-[(2-Thienylthio)methyl]benzoic acid 

structure
  • CAS No:

    845266-20-8

  • Formula:

    C12H10O2S2

  • Chemical Name:

    3-[(2-Thienylthio)methyl]benzoic acid

  • Synonyms:

    Benzoic acid,3-[(2-thienylthio)methyl]-;3-[(2-Thienylthio)methyl]benzoic acid;3-((Thiophen-2-ylthio)methyl)benzoic acid;3-[(Thiophen-2-ylsulfanyl)methyl]benzoic acid

3-[(2-Thienylthio)methyl]benzoic acid Basic Attributes

250.34

250.34

DTXSID50384827

Characteristics

90.84000

3.73860

1.37g/cm3

108 °C

445.4ºC at 760 mmHg

223.2ºC

1.678

Safety Information

36

26

Xi

Computed Properties

Molecular Weight:250.3
XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:250.01222190
Monoisotopic Mass:250.01222190
Topological Polar Surface Area:90.8
Heavy Atom Count:16
Complexity:245
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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