5-(Phenylsulfanyl)pyridin-2-amine

HCID 12410840

Notes Reactions

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Basic information

CAS: 64064-25-1
Standard SMILES: Nc1ccc(Sc2ccccc2)cn1
InChIKey: CCZKQXORAMBPSJ-UHFFFAOYSA-N
Molecular formula: C11H10N2S
Average molar mass: 202.28 g/mol
Monoisotopic mass: 202.05646932

Names & identifiers

Preferred name: 5-(Phenylsulfanyl)pyridin-2-amine
IUPAC: 5-phenylsulfanylpyridin-2-amine

Names & synonyms

64064-25-15-(PHENYLSULFANYL)PYRIDIN-2-AMINE2-amino 5-phenylthio pyridine2-Amino-5-(phenylthio)pyridineSCHEMBL107325402-amino-5-(phenylthio) pyridineDTXSID30496992CCZKQXORAMBPSJ-UHFFFAOYSA-NAKOS000222217DA-38353

Database identifiers

CAS: 64064-25-1
PubChem CID: 12410840
DTXSID: DTXSID30496992

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 64.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 169

Related reactions

6 records

New reaction record

HRID 290734As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 372735As reactantuspto-grants-1978_05

HRID 372736As reactantuspto-grants-1978_05

HRID 677317As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1447598As productuspto-grants-1979_12

HRID 1568593As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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