N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]methanethioamide

HCID 86601005

Notes Reactions

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Basic information

Standard SMILES: O=S(=O)(Nc1ncccn1)c1ccc(NC=S)cc1
InChIKey: ADIGICLNAQVFAP-UHFFFAOYSA-N
Molecular formula: C11H10N4O2S2
Average molar mass: 294.4 g/mol

Names & identifiers

Preferred name: N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]methanethioamide
IUPAC: N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]methanethioamide

Database identifiers

PubChem CID: 86601005

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 124 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 4
Heavy atoms: 19
Formal charge: 0
Complexity: 382

Related reactions

5 records

New reaction record

HRID 94566 reaction equation

HRID 94566As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 145890 reaction equation

HRID 145890As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 154912 reaction equation

HRID 154912As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 310830 reaction equation

HRID 310830As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 697622 reaction equation

HRID 697622As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

Compound notes

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