3-amino-4,6-dimethyl-1H-pyridine-2-thione

C7H10N2S — CID 733112

IUPAC3-amino-4,6-dimethyl-1H-pyridine-2-thione
SMILESCc1cc(C)c(N)c(=S)[nH]1
InChIInChI=1S/C7H10N2S/c1-4-3-5(2)9-7(10)6(4)8/h3H,8H2,1-2H3,(H,9,10)
InChIKeyVGQSQBOHDUCDLH-UHFFFAOYSA-N
MW154.24 g/mol
LogP1.94
Rot. Bonds

About 3-amino-4,6-dimethyl-1H-pyridine-2-thione

3-amino-4,6-dimethyl-1H-pyridine-2-thione (PubChem CID 733112) has the molecular formula C7H10N2S and a molecular weight of 154.24 g/mol. Its IUPAC name is 3-amino-4,6-dimethyl-1H-pyridine-2-thione.

Molecular Properties

Compound Name3-amino-4,6-dimethyl-1H-pyridine-2-thione
PubChem CID733112
Molecular FormulaC7H10N2S
Molecular Weight154.24 g/mol
Exact Mass154.06
IUPAC Name3-amino-4,6-dimethyl-1H-pyridine-2-thione
SMILESCc1cc(C)c(N)c(=S)[nH]1
InChIInChI=1S/C7H10N2S/c1-4-3-5(2)9-7(10)6(4)8/h3H,8H2,1-2H3,(H,9,10)
InChIKeyVGQSQBOHDUCDLH-UHFFFAOYSA-N
XLogP1.94
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.24
LogP ≤ 51.94
H-Bond Donors ≤ 52
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-4,6-dimethyl-1H-pyridine-2-thione?
The IUPAC name of 3-amino-4,6-dimethyl-1H-pyridine-2-thione (CID 733112) is 3-amino-4,6-dimethyl-1H-pyridine-2-thione.
What is the SMILES notation for 3-amino-4,6-dimethyl-1H-pyridine-2-thione?
The canonical SMILES for 3-amino-4,6-dimethyl-1H-pyridine-2-thione is Cc1cc(C)c(N)c(=S)[nH]1.
What is the InChIKey of 3-amino-4,6-dimethyl-1H-pyridine-2-thione?
The InChIKey is VGQSQBOHDUCDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2S/c1-4-3-5(2)9-7(10)6(4)8/h3H,8H2,1-2H3,(H,9,10).
What are the key properties of 3-amino-4,6-dimethyl-1H-pyridine-2-thione?
3-amino-4,6-dimethyl-1H-pyridine-2-thione has a molecular weight of 154.24 g/mol, XLogP of 1.94, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,6-dimethyl-1H-pyridine-2-thione is sourced from PubChem (CID 733112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).