3-amino-5-bromo-3H-pyridine-2-thione

C5H5BrN2S — CID 76896036

IUPAC3-amino-5-bromo-3H-pyridine-2-thione
SMILESNC1C=C(Br)C=NC1=S
InChIInChI=1S/C5H5BrN2S/c6-3-1-4(7)5(9)8-2-3/h1-2,4H,7H2
InChIKeyUTFAOLCQABFXLF-UHFFFAOYSA-N
MW205.08 g/mol
LogP1.00
Rot. Bonds

About 3-amino-5-bromo-3H-pyridine-2-thione

3-amino-5-bromo-3H-pyridine-2-thione (PubChem CID 76896036) has the molecular formula C5H5BrN2S and a molecular weight of 205.08 g/mol. Its IUPAC name is 3-amino-5-bromo-3H-pyridine-2-thione.

Molecular Properties

Compound Name3-amino-5-bromo-3H-pyridine-2-thione
PubChem CID76896036
Molecular FormulaC5H5BrN2S
Molecular Weight205.08 g/mol
Exact Mass203.94
IUPAC Name3-amino-5-bromo-3H-pyridine-2-thione
SMILESNC1C=C(Br)C=NC1=S
InChIInChI=1S/C5H5BrN2S/c6-3-1-4(7)5(9)8-2-3/h1-2,4H,7H2
InChIKeyUTFAOLCQABFXLF-UHFFFAOYSA-N
XLogP1.00
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.08
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-3H-pyridine-2-thione?
The IUPAC name of 3-amino-5-bromo-3H-pyridine-2-thione (CID 76896036) is 3-amino-5-bromo-3H-pyridine-2-thione.
What is the SMILES notation for 3-amino-5-bromo-3H-pyridine-2-thione?
The canonical SMILES for 3-amino-5-bromo-3H-pyridine-2-thione is NC1C=C(Br)C=NC1=S.
What is the InChIKey of 3-amino-5-bromo-3H-pyridine-2-thione?
The InChIKey is UTFAOLCQABFXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrN2S/c6-3-1-4(7)5(9)8-2-3/h1-2,4H,7H2.
What are the key properties of 3-amino-5-bromo-3H-pyridine-2-thione?
3-amino-5-bromo-3H-pyridine-2-thione has a molecular weight of 205.08 g/mol, XLogP of 1.00, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-3H-pyridine-2-thione is sourced from PubChem (CID 76896036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).