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

C12H13N3S — CID 106513942

IUPAC6-[4-(dimethylamino)phenyl]-1H-pyrazine-2-thione
SMILESCN(C)c1ccc(-c2cncc(=S)[nH]2)cc1
InChIInChI=1S/C12H13N3S/c1-15(2)10-5-3-9(4-6-10)11-7-13-8-12(16)14-11/h3-8H,1-2H3,(H,14,16)
InChIKeyNXMVQXFIIVZLHC-UHFFFAOYSA-N
MW231.32 g/mol
LogP2.87
Rot. Bonds2

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

6-[4-(dimethylamino)phenyl]-1H-pyrazine-2-thione (PubChem CID 106513942) has the molecular formula C12H13N3S and a molecular weight of 231.32 g/mol. Its IUPAC name is 6-[4-(dimethylamino)phenyl]-1H-pyrazine-2-thione.

Molecular Properties

Compound Name6-[4-(dimethylamino)phenyl]-1H-pyrazine-2-thione
PubChem CID106513942
Molecular FormulaC12H13N3S
Molecular Weight231.32 g/mol
Exact Mass231.08
IUPAC Name6-[4-(dimethylamino)phenyl]-1H-pyrazine-2-thione
SMILESCN(C)c1ccc(-c2cncc(=S)[nH]2)cc1
InChIInChI=1S/C12H13N3S/c1-15(2)10-5-3-9(4-6-10)11-7-13-8-12(16)14-11/h3-8H,1-2H3,(H,14,16)
InChIKeyNXMVQXFIIVZLHC-UHFFFAOYSA-N
XLogP2.87
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[4-(dimethylamino)phenyl]-1H-pyridine-2-thione
CID 106513951
4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;ethane
CID 91522137
6-(3-methyl-4-pyridinyl)-1H-pyrazine-2-thione
CID 106518852
2-cyclopropyl-6-[4-(dimethylamino)phenyl]-1H-pyrimidine-4-thione
CID 106513952
4-[5-[4-(dimethylamino)phenyl]pyrazin-2-yl]-N,N-dimethylaniline
CID 102012408
6-[4-(dimethylamino)phenyl]-1H-pyridin-2-one
CID 106513930
2-[4-(dimethylamino)phenyl]-1H-pyridin-4-one
CID 106513916
7-(dimethylamino)-3-[4-(dimethylamino)phenyl]-2H-isoquinolin-1-one
CID 122626734
N,N-dimethylpyridin-4-amine
CID 14284
4-(4-chlorophenyl)-N,N-dimethylaniline
CID 2757476
4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;methylsulfinylmethane
CID 157316165
2-tert-butyl-8-[4-(dimethylamino)phenyl]-3H-pyrido[4,3-d]pyrimidin-4-one
CID 135783386

Frequently Asked Questions

What is the IUPAC name of 6-[4-(dimethylamino)phenyl]-1H-pyrazine-2-thione?
The IUPAC name of 6-[4-(dimethylamino)phenyl]-1H-pyrazine-2-thione (CID 106513942) is 6-[4-(dimethylamino)phenyl]-1H-pyrazine-2-thione.
What is the SMILES notation for 6-[4-(dimethylamino)phenyl]-1H-pyrazine-2-thione?
The canonical SMILES for 6-[4-(dimethylamino)phenyl]-1H-pyrazine-2-thione is CN(C)c1ccc(-c2cncc(=S)[nH]2)cc1.
What is the InChIKey of 6-[4-(dimethylamino)phenyl]-1H-pyrazine-2-thione?
The InChIKey is NXMVQXFIIVZLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3S/c1-15(2)10-5-3-9(4-6-10)11-7-13-8-12(16)14-11/h3-8H,1-2H3,(H,14,16).
What are the key properties of 6-[4-(dimethylamino)phenyl]-1H-pyrazine-2-thione?
6-[4-(dimethylamino)phenyl]-1H-pyrazine-2-thione has a molecular weight of 231.32 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(dimethylamino)phenyl]-1H-pyrazine-2-thione is sourced from PubChem (CID 106513942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).