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Substance Name: 2-Nitro-5-thiocyanobenzoic acid
RN: 30211-77-9
UNII: O5VCA1GS5O
InChIKey: NQUNIMFHIWQQGJ-UHFFFAOYSA-N

Note

  • Inhibits iron-containing nitrile hydratases.

Classification Codes

  • Enzyme Inhibitors
  • Indicators and Reagents

Molecular Formula

  • C8-H4-N2-O4-S

Molecular Weight

  • 224.196
 
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Names and Synonyms

Name of Substance

  • 2-Nitro-5-thiocyanobenzoic acid

Synonyms

  • EINECS 250-093-9
  • UNII-O5VCA1GS5O

Systematic Names

  • 2-Nitro-5-thiocyanatobenzoic acid
  • Benzoic acid, 2-nitro-5-thiocyanato-

Registry Numbers

CAS Registry Number

  • 30211-77-9

FDA UNII

  • O5VCA1GS5O

System Generated Number

  • 0030211779

Structure Descriptors

InChI

1S/C8H4N2O4S/c9-4-15-5-1-2-7(10(13)14)6(3-5)8(11)12/h1-3H,(H,11,12)

InChIKey

NQUNIMFHIWQQGJ-UHFFFAOYSA-N

Smiles

O=C(O)c1c([N+]([O-])=O)ccc(SC#N)c1