4-(furan-2-yl)-3-methyl-1H-pyridazine-6-thione

C9H8N2OS — CID 139699801

IUPAC4-(furan-2-yl)-3-methyl-1H-pyridazine-6-thione
SMILESCc1n[nH]c(=S)cc1-c1ccco1
InChIInChI=1S/C9H8N2OS/c1-6-7(5-9(13)11-10-6)8-3-2-4-12-8/h2-5H,1H3,(H,11,13)
InChIKeyVWYAFTMGBVGPAR-UHFFFAOYSA-N
MW192.24 g/mol
LogP2.71
Rot. Bonds1

About 4-(furan-2-yl)-3-methyl-1H-pyridazine-6-thione

4-(furan-2-yl)-3-methyl-1H-pyridazine-6-thione (PubChem CID 139699801) has the molecular formula C9H8N2OS and a molecular weight of 192.24 g/mol. Its IUPAC name is 4-(furan-2-yl)-3-methyl-1H-pyridazine-6-thione.

Molecular Properties

Compound Name4-(furan-2-yl)-3-methyl-1H-pyridazine-6-thione
PubChem CID139699801
Molecular FormulaC9H8N2OS
Molecular Weight192.24 g/mol
Exact Mass192.04
IUPAC Name4-(furan-2-yl)-3-methyl-1H-pyridazine-6-thione
SMILESCc1n[nH]c(=S)cc1-c1ccco1
InChIInChI=1S/C9H8N2OS/c1-6-7(5-9(13)11-10-6)8-3-2-4-12-8/h2-5H,1H3,(H,11,13)
InChIKeyVWYAFTMGBVGPAR-UHFFFAOYSA-N
XLogP2.71
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 52.71
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

4-(furan-2-yl)-6-methyl-1H-pyrimidine-2-thione
CID 106518148
2-[6-(furan-2-yl)-3,8-dimethylpyren-1-yl]furan
CID 59510179
4-(furan-2-yl)-6-methyl-2H-pyrazolo[3,4-b]pyridin-3-amine
CID 10632410
6-ethyl-4-(furan-2-yl)-2,3-dimethylpyridine
CID 608303
ethane;2-(furan-2-yl)furan
CID 161366084
ethane;2-(2-methylphenyl)furan
CID 142082580
3-(furan-2-yl)-4-(2-methylpropyl)-1H-1,2,4-triazole-5-thione
CID 843761
5-(furan-2-yl)-N,N-dimethyl-1H-1,2,4-triazol-3-amine
CID 130005940
7-(furan-2-yl)-3-iodo-2H-indazole
CID 168527750
2-(4-bromo-5-chloro-2-methylphenyl)furan
CID 168524424
3-(furan-2-yl)-4-methylphenol
CID 131162785
3-(furan-2-yl)-4-methylaniline
CID 61319019

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-3-methyl-1H-pyridazine-6-thione?
The IUPAC name of 4-(furan-2-yl)-3-methyl-1H-pyridazine-6-thione (CID 139699801) is 4-(furan-2-yl)-3-methyl-1H-pyridazine-6-thione.
What is the SMILES notation for 4-(furan-2-yl)-3-methyl-1H-pyridazine-6-thione?
The canonical SMILES for 4-(furan-2-yl)-3-methyl-1H-pyridazine-6-thione is Cc1n[nH]c(=S)cc1-c1ccco1.
What is the InChIKey of 4-(furan-2-yl)-3-methyl-1H-pyridazine-6-thione?
The InChIKey is VWYAFTMGBVGPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2OS/c1-6-7(5-9(13)11-10-6)8-3-2-4-12-8/h2-5H,1H3,(H,11,13).
What are the key properties of 4-(furan-2-yl)-3-methyl-1H-pyridazine-6-thione?
4-(furan-2-yl)-3-methyl-1H-pyridazine-6-thione has a molecular weight of 192.24 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-3-methyl-1H-pyridazine-6-thione is sourced from PubChem (CID 139699801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).