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Home > Encyclopedia > 2-(4-isothiocyanatophenyl)sulfanylacetic acid

2-(4-isothiocyanatophenyl)sulfanylacetic acid

2-(4-isothiocyanatophenyl)sulfanylacetic acid structure

2-(4-isothiocyanatophenyl)sulfanylacetic acid 

structure
  • CAS No:

    7501-98-6

  • Formula:

    C9H7NO2S2

  • Chemical Name:

    2-(4-isothiocyanatophenyl)sulfanylacetic acid

  • Synonyms:

    NSC403376;7501-98-6;NSC-403376;((4-isothiocyanatophenyl)thio)acetic acid;NCIStruc1_000676;NCIStruc2_001061;CHEMBL1447527;DTXSID70323218;ZINC1595622;CCG-37811;NCGC00014897;NCI403376;NCGC00014897-02;NCGC00097998-01;NCI60_003800

2-(4-isothiocyanatophenyl)sulfanylacetic acid Basic Attributes

225.3 g/mol

224.99182081 g/mol

403376

DTXSID70323218

Characteristics

107 Ų

Computed Properties

Molecular Weight:225.3
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:224.99182081
Monoisotopic Mass:224.99182081
Topological Polar Surface Area:107
Heavy Atom Count:14
Complexity:243
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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