CHEBI:53576 - pyrimidine-2-thiol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name pyrimidine-2-thiol
ChEBI ID CHEBI:53576
Definition Pyrimidine substituted at C-2 by a sulfanyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C4H4N2S
Net Charge 0
Average Mass 112.15300
Monoisotopic Mass 112.00952
InChI InChI=1S/C4H4N2S/c7-4-5-2-1-3-6-4/h1-3H,(H,5,6,7)
InChIKey HBCQSNAFLVXVAY-UHFFFAOYSA-N
SMILES Sc1ncccn1
Roles Classification
Chemical Role(s): corrosion inhibitor
A chemical compound that, when added to a liquid or gas, decreases the corrosion rate of a material, typically a metal or an alloy.
Biological Role(s): allergen
A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing pyrimidine-2-thiol (CHEBI:53576) has role allergen (CHEBI:50904)
pyrimidine-2-thiol (CHEBI:53576) has role corrosion inhibitor (CHEBI:91015)
pyrimidine-2-thiol (CHEBI:53576) is a aryl thiol (CHEBI:82711)
pyrimidine-2-thiol (CHEBI:53576) is a pyrimidines (CHEBI:39447)
IUPAC Name
pyrimidine-2-thiol
Synonyms Sources
2-Mercaptopyrimidine ChemIDplus
2-Pyrimidinethiol NIST Chemistry WebBook
2-Thiopyrimidine ChemIDplus
MPY ChEBI
Registry Numbers Types Sources
1450-85-7 CAS Registry Number ChemIDplus
1450-85-7 CAS Registry Number NIST Chemistry WebBook
742007 Reaxys Registry Number Reaxys
742007 Beilstein Registry Number Beilstein
Citations Waiting for Citations Types Sources
18220373 PubMed citation Europe PMC
18311566 PubMed citation Europe PMC
18967379 PubMed citation Europe PMC
2215478 PubMed citation Europe PMC
24763648 PubMed citation Europe PMC
3654008 PubMed citation Europe PMC
Last Modified
12 March 2019