U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C8H4N2O4S
Molecular Weight 224.193
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-NITRO-5-THIOCYANOBENZOIC ACID

SMILES

OC(=O)C1=CC(SC#N)=CC=C1[N+]([O-])=O

InChI

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

HIDE SMILES / InChI

Molecular Formula C8H4N2O4S
Molecular Weight 224.193
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
New insight into the dynamic properties and the active site architecture of H-Ras p21 revealed by X-ray crystallography at very high resolution.
2010-10-25
Higher sequence coverage and improved confidence in the identification of cysteine-rich proteins from the wool cuticle using combined chemical and enzymatic digestion.
2009-12-01
Chelator-facilitated chemical modification of IMP-1 metallo-beta-lactamase and its consequences on metal binding.
2009-03-27
Molecular docking studies of dithionitrobenzoic acid and its related compounds to protein disulfide isomerase: computational screening of inhibitors to HIV-1 entry.
2008-12-12
Scrapie prion protein structural constraints obtained by limited proteolysis and mass spectrometry.
2008-09-26
Characterization of the exocuticle a-layer proteins of wool.
2007-11
Nitro-thiocyanobenzoic acid (NTCB) reactivity of cysteines beta100 and beta110 in porcine luteinizing hormone: metastability and hypothetical isomerization of the two disulfide bridges of its beta-subunit seatbelt.
2006-03-09
Localization of a substrate binding domain of the human reduced folate carrier to transmembrane domain 11 by radioaffinity labeling and cysteine-substituted accessibility methods.
2005-10-28
Chemical cleavage of proteins in solution.
2005-06
Apolipoprotein J (clusterin) activates rodent microglia in vivo and in vitro.
2005-05
Association/dissociation of gonadotropin subunits involves disulfide bridge disruption which is influenced by carbohydrate moiety.
2004-11-12
Identification of alternative products and optimization of 2-nitro-5-thiocyanatobenzoic acid cyanylation and cleavage at cysteine residues.
2004-11-01
In vivo phosphorylation of human erythrocyte spectrin occurs in a sequential manner.
2004-04-13
Recruitment to Golgi membranes of ADP-ribosylation factor 1 is mediated by the cytoplasmic domain of p23.
2001-12-03
Chemical modification of transducin with iodoacetic acid: transducin-alpha carboxymethylated at Cys(347) allows transducin binding to Light-activated rhodopsin but prevents its release in the presence of GTP.
2001-11-15
New inhibitors of iron-containing nitrile hydratases.
2001-08
Location of disulfide bonds in mature alpha-L-fucosidase from pea.
2001-06
Pressure-induced perturbation on the active site of beta-amylase monitored from the sulfhydryl reaction.
2001-05-22
Chemical cleavage of proteins on membranes.
2001-05
Effects of differential sulfhydryl group-specific labeling on the rhodopsin and guanine nucleotide binding activities of transducin.
2001-03-15
Patents

Patents

Substance Class Chemical
Created
by admin
on Mon Mar 31 18:59:48 GMT 2025
Edited
by admin
on Mon Mar 31 18:59:48 GMT 2025
Record UNII
O5VCA1GS5O
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-NITRO-5-THIOCYANOBENZOIC ACID
Preferred Name English
Code System Code Type Description
ECHA (EC/EINECS)
250-093-9
Created by admin on Mon Mar 31 18:59:48 GMT 2025 , Edited by admin on Mon Mar 31 18:59:48 GMT 2025
PRIMARY
FDA UNII
O5VCA1GS5O
Created by admin on Mon Mar 31 18:59:49 GMT 2025 , Edited by admin on Mon Mar 31 18:59:49 GMT 2025
PRIMARY
EPA CompTox
DTXSID6067543
Created by admin on Mon Mar 31 18:59:49 GMT 2025 , Edited by admin on Mon Mar 31 18:59:49 GMT 2025
PRIMARY
PUBCHEM
92266
Created by admin on Mon Mar 31 18:59:49 GMT 2025 , Edited by admin on Mon Mar 31 18:59:49 GMT 2025
PRIMARY
CAS
30211-77-9
Created by admin on Mon Mar 31 18:59:48 GMT 2025 , Edited by admin on Mon Mar 31 18:59:48 GMT 2025
PRIMARY