2-Chloro-4-(pyrimidin-2-ylthio)pyrimidine

HCID 62344280
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
Clc1nccc(Sc2ncccn2)n1
InChIKey
TVWJRDSLJVAWIJ-UHFFFAOYSA-N
Molecular formula
C8H5ClN4S
Average molar mass
224.67 g/mol

Names & identifiers

Preferred name
2-Chloro-4-(pyrimidin-2-ylthio)pyrimidine
IUPAC
2-chloro-4-pyrimidin-2-ylsulfanylpyrimidine

Names & synonyms

SCHEMBL3698214TVWJRDSLJVAWIJ-UHFFFAOYSA-NAKOS0116292512-Chloro-4-(pyrimidin-2-ylthio)pyrimidine

Database identifiers

PubChem CID
62344280

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
76.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
14

Related reactions

2 records
New reaction record

Compound notes

Loading…