3-chloro-5-(6-methyl-3-pyridinyl)-1H-pyridazine-6-thione

C10H8ClN3S — CID 106517753

IUPAC3-chloro-5-(6-methyl-3-pyridinyl)-1H-pyridazine-6-thione
SMILESCc1ccc(-c2cc(Cl)n[nH]c2=S)cn1
InChIInChI=1S/C10H8ClN3S/c1-6-2-3-7(5-12-6)8-4-9(11)13-14-10(8)15/h2-5H,1H3,(H,14,15)
InChIKeyIMHQYTNPMHVIPB-UHFFFAOYSA-N
MW237.72 g/mol
LogP3.16
Rot. Bonds1

About 3-chloro-5-(6-methyl-3-pyridinyl)-1H-pyridazine-6-thione

3-chloro-5-(6-methyl-3-pyridinyl)-1H-pyridazine-6-thione (PubChem CID 106517753) has the molecular formula C10H8ClN3S and a molecular weight of 237.72 g/mol. Its IUPAC name is 3-chloro-5-(6-methyl-3-pyridinyl)-1H-pyridazine-6-thione.

Molecular Properties

Compound Name3-chloro-5-(6-methyl-3-pyridinyl)-1H-pyridazine-6-thione
PubChem CID106517753
Molecular FormulaC10H8ClN3S
Molecular Weight237.72 g/mol
Exact Mass237.01
IUPAC Name3-chloro-5-(6-methyl-3-pyridinyl)-1H-pyridazine-6-thione
SMILESCc1ccc(-c2cc(Cl)n[nH]c2=S)cn1
InChIInChI=1S/C10H8ClN3S/c1-6-2-3-7(5-12-6)8-4-9(11)13-14-10(8)15/h2-5H,1H3,(H,14,15)
InChIKeyIMHQYTNPMHVIPB-UHFFFAOYSA-N
XLogP3.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.72
LogP ≤ 53.16
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

3-chloro-5-pyrimidin-5-yl-1H-pyridazine-6-thione
CID 106516243
3-chloro-5-(2-methylphenyl)-1H-pyridazine-6-thione
CID 106514485
3-chloro-5-pyridin-2-yl-1H-pyridazine-6-thione
CID 106517801
5-(2,4-dichlorophenyl)-2-methylpyridine
CID 57069565
3-chloro-5-[2-methyl-4-(trifluoromethyl)phenyl]-1H-pyridazine-6-thione
CID 106522982
4-chloro-3-(6-methyl-3-pyridinyl)phenol
CID 175413661
5-(2,3-dichlorophenyl)-2-methylpyridine
CID 173126972
2-chloro-5-(6-methyl-3-pyridinyl)phenol
CID 83131135
5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-(6-methyl-3-pyridinyl)pyridine
CID 122487681
2,4-dimethyl-5-(6-methyl-3-pyridinyl)phenol
CID 123421037
5-[2-chloro-6-(6-methyl-3-pyridinyl)phenyl]-1,3-dihydrobenzimidazol-2-one
CID 122667677
5-[3-[3,5-bis[3-(6-methyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-methylpyridine
CID 59412018

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(6-methyl-3-pyridinyl)-1H-pyridazine-6-thione?
The IUPAC name of 3-chloro-5-(6-methyl-3-pyridinyl)-1H-pyridazine-6-thione (CID 106517753) is 3-chloro-5-(6-methyl-3-pyridinyl)-1H-pyridazine-6-thione.
What is the SMILES notation for 3-chloro-5-(6-methyl-3-pyridinyl)-1H-pyridazine-6-thione?
The canonical SMILES for 3-chloro-5-(6-methyl-3-pyridinyl)-1H-pyridazine-6-thione is Cc1ccc(-c2cc(Cl)n[nH]c2=S)cn1.
What is the InChIKey of 3-chloro-5-(6-methyl-3-pyridinyl)-1H-pyridazine-6-thione?
The InChIKey is IMHQYTNPMHVIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3S/c1-6-2-3-7(5-12-6)8-4-9(11)13-14-10(8)15/h2-5H,1H3,(H,14,15).
What are the key properties of 3-chloro-5-(6-methyl-3-pyridinyl)-1H-pyridazine-6-thione?
3-chloro-5-(6-methyl-3-pyridinyl)-1H-pyridazine-6-thione has a molecular weight of 237.72 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(6-methyl-3-pyridinyl)-1H-pyridazine-6-thione is sourced from PubChem (CID 106517753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).