6-[4-(dimethylamino)phenyl]-1H-pyridine-2-thione

C13H14N2S — CID 106513951

IUPAC6-[4-(dimethylamino)phenyl]-1H-pyridine-2-thione
SMILESCN(C)c1ccc(-c2cccc(=S)[nH]2)cc1
InChIInChI=1S/C13H14N2S/c1-15(2)11-8-6-10(7-9-11)12-4-3-5-13(16)14-12/h3-9H,1-2H3,(H,14,16)
InChIKeyIYCRMHFJLAZQII-UHFFFAOYSA-N
MW230.34 g/mol
LogP3.48
Rot. Bonds2

About 6-[4-(dimethylamino)phenyl]-1H-pyridine-2-thione

6-[4-(dimethylamino)phenyl]-1H-pyridine-2-thione (PubChem CID 106513951) has the molecular formula C13H14N2S and a molecular weight of 230.34 g/mol. Its IUPAC name is 6-[4-(dimethylamino)phenyl]-1H-pyridine-2-thione.

Molecular Properties

Compound Name6-[4-(dimethylamino)phenyl]-1H-pyridine-2-thione
PubChem CID106513951
Molecular FormulaC13H14N2S
Molecular Weight230.34 g/mol
Exact Mass230.09
IUPAC Name6-[4-(dimethylamino)phenyl]-1H-pyridine-2-thione
SMILESCN(C)c1ccc(-c2cccc(=S)[nH]2)cc1
InChIInChI=1S/C13H14N2S/c1-15(2)11-8-6-10(7-9-11)12-4-3-5-13(16)14-12/h3-9H,1-2H3,(H,14,16)
InChIKeyIYCRMHFJLAZQII-UHFFFAOYSA-N
XLogP3.48
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-[4-(dimethylamino)phenyl]-1H-pyridin-2-one
CID 106513930
6-[4-(dimethylamino)phenyl]-1H-pyrazine-2-thione
CID 106513942
4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;ethane
CID 91522137
2-[4-(dimethylamino)phenyl]-1H-pyridin-4-one
CID 106513916
2-cyclopropyl-6-[4-(dimethylamino)phenyl]-1H-pyrimidine-4-thione
CID 106513952
5-[4-(dimethylamino)phenyl]dithiole-3-thione
CID 125493991
7-(dimethylamino)-3-[4-(dimethylamino)phenyl]-2H-isoquinolin-1-one
CID 122626734
4-N-[4-[5-[4-(4-amino-N-methylanilino)phenyl]-1H-pyrrol-2-yl]phenyl]-4-N-methylbenzene-1,4-diamine
CID 142315294
4-[2-[4-(dimethylamino)phenyl]acenaphthylen-1-yl]-N,N-dimethylaniline
CID 102433569
CID 10920697
CID 10920697
4-(3-fluorophenyl)-N,N-dimethylaniline
CID 54450896
3-[4-(dimethylamino)phenyl]phenol
CID 39231657

Frequently Asked Questions

What is the IUPAC name of 6-[4-(dimethylamino)phenyl]-1H-pyridine-2-thione?
The IUPAC name of 6-[4-(dimethylamino)phenyl]-1H-pyridine-2-thione (CID 106513951) is 6-[4-(dimethylamino)phenyl]-1H-pyridine-2-thione.
What is the SMILES notation for 6-[4-(dimethylamino)phenyl]-1H-pyridine-2-thione?
The canonical SMILES for 6-[4-(dimethylamino)phenyl]-1H-pyridine-2-thione is CN(C)c1ccc(-c2cccc(=S)[nH]2)cc1.
What is the InChIKey of 6-[4-(dimethylamino)phenyl]-1H-pyridine-2-thione?
The InChIKey is IYCRMHFJLAZQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2S/c1-15(2)11-8-6-10(7-9-11)12-4-3-5-13(16)14-12/h3-9H,1-2H3,(H,14,16).
What are the key properties of 6-[4-(dimethylamino)phenyl]-1H-pyridine-2-thione?
6-[4-(dimethylamino)phenyl]-1H-pyridine-2-thione has a molecular weight of 230.34 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(dimethylamino)phenyl]-1H-pyridine-2-thione is sourced from PubChem (CID 106513951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).