3-pyrimidin-2-ylsulfanylaniline

C10H9N3S — CID 56828586

IUPAC3-pyrimidin-2-ylsulfanylaniline
SMILESNc1cccc(Sc2ncccn2)c1
InChIInChI=1S/C10H9N3S/c11-8-3-1-4-9(7-8)14-10-12-5-2-6-13-10/h1-7H,11H2
InChIKeyRFWDDPIXCCRMSH-UHFFFAOYSA-N
MW203.27 g/mol
LogP2.21
Rot. Bonds2

About 3-pyrimidin-2-ylsulfanylaniline

3-pyrimidin-2-ylsulfanylaniline (PubChem CID 56828586) has the molecular formula C10H9N3S and a molecular weight of 203.27 g/mol. Its IUPAC name is 3-pyrimidin-2-ylsulfanylaniline.

Molecular Properties

Compound Name3-pyrimidin-2-ylsulfanylaniline
PubChem CID56828586
Molecular FormulaC10H9N3S
Molecular Weight203.27 g/mol
Exact Mass203.05
IUPAC Name3-pyrimidin-2-ylsulfanylaniline
SMILESNc1cccc(Sc2ncccn2)c1
InChIInChI=1S/C10H9N3S/c11-8-3-1-4-9(7-8)14-10-12-5-2-6-13-10/h1-7H,11H2
InChIKeyRFWDDPIXCCRMSH-UHFFFAOYSA-N
XLogP2.21
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-pyrimidin-2-ylsulfanylaniline?
The IUPAC name of 3-pyrimidin-2-ylsulfanylaniline (CID 56828586) is 3-pyrimidin-2-ylsulfanylaniline.
What is the SMILES notation for 3-pyrimidin-2-ylsulfanylaniline?
The canonical SMILES for 3-pyrimidin-2-ylsulfanylaniline is Nc1cccc(Sc2ncccn2)c1.
What is the InChIKey of 3-pyrimidin-2-ylsulfanylaniline?
The InChIKey is RFWDDPIXCCRMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3S/c11-8-3-1-4-9(7-8)14-10-12-5-2-6-13-10/h1-7H,11H2.
What are the key properties of 3-pyrimidin-2-ylsulfanylaniline?
3-pyrimidin-2-ylsulfanylaniline has a molecular weight of 203.27 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrimidin-2-ylsulfanylaniline is sourced from PubChem (CID 56828586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).