2-Methylsulfanyl-4-(3-chloro-4-nitrophenoxy)-pyrimidine

HCID 67523947

Notes Reactions

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Basic information

Standard SMILES: CSc1nccc(Oc2ccc([N+](=O)[O-])c(Cl)c2)n1
InChIKey: HZWWISRVCGXAFP-UHFFFAOYSA-N
Molecular formula: C11H8ClN3O3S
Average molar mass: 297.72 g/mol

Names & identifiers

Preferred name: 2-Methylsulfanyl-4-(3-chloro-4-nitrophenoxy)-pyrimidine
IUPAC: 4-(3-chloro-4-nitrophenoxy)-2-methylsulfanylpyrimidine

Names & synonyms

SCHEMBL2762733HZWWISRVCGXAFP-UHFFFAOYSA-N2-methylsulfanyl-4-(3-chloro-4-nitrophenoxy)-pyrimidine4-(3-chloro-4-nitro-phenoxy)-2-methylsulfanyl-pyrimidine

Database identifiers

PubChem CID: 67523947

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 106 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 3
Heavy atoms: 19
Formal charge: 0
Complexity: 318

Related reactions

4 records

New reaction record

HRID 120220As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 659012As productuspto-grants-2011_12

HRID 659013As reactantuspto-grants-2011_12

HRID 1572238As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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