HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program：[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

6-Thioureido-nicotinic acid ethyl ester

HCID 22019087
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOC(=O)c1ccc(NC(N)=S)nc1
InChIKey
UHLSQXLZJBUZRY-UHFFFAOYSA-N
Molecular formula
C9H11N3O2S
Average molar mass
225.27 g/mol

Names & identifiers

Preferred name
6-Thioureido-nicotinic acid ethyl ester
IUPAC
ethyl 6-(carbamothioylamino)pyridine-3-carboxylate

Names & synonyms

SCHEMBL2861330UHLSQXLZJBUZRY-UHFFFAOYSA-N6-thioureido-nicotinic acid ethyl ester

Database identifiers

PubChem CID
22019087

Properties

Computed structural properties

XLogP
0.6
Topological polar surface area
109 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
15
Formal charge
0
Complexity
248

Related reactions

3 records
New reaction record
HRID 6881 reaction equation
HRID 6881As productuspto-grants-2006_08
HRID 1217296 reaction equation
HRID 1217296As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1985766 reaction equation
HRID 1985766As productuspto-grants-2009_06

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes