MZY

1,3-dihydroimidazole-2-thione

Created:	2016-05-12
Last modified:	2020-06-05

Find Related PDB Entry
2 entries where MZY is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	10
Chiral Atom Count	0
Bond Count	10
Aromatic Bond Count	0

2D diagram of MZY

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	1,3-dihydroimidazole-2-thione
Synonyms	2-Mercaptoimidazole
Systematic Name (OpenEye OEToolkits)	1,3-dihydroimidazole-2-thione
Formula	C₃ H₄ N₂ S
Molecular Weight	100.142
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	S=C1NC=CN1
SMILES	OpenEye OEToolkits	2.0.5	C1=CNC(=S)N1
Canonical SMILES	CACTVS	3.385	S=C1NC=CN1
Canonical SMILES	OpenEye OEToolkits	2.0.5	C1=CNC(=S)N1
InChI	InChI	1.03	InChI=1S/C3H4N2S/c6-3-4-1-2-5-3/h1-2H,(H2,4,5,6)
InChIKey	InChI	1.03	OXFSTTJBVAAALW-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	13384, 1201386
ChEMBL	CHEMBL3260774
CCDC/CSD	MOVJAL, CEZXEK

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.