2-(furan-2-yl)-6-methoxy-1H-1,3,5-triazine-4-thione

C8H7N3O2S — CID 106518179

IUPAC2-(furan-2-yl)-6-methoxy-1H-1,3,5-triazine-4-thione
SMILESCOc1nc(=S)nc(-c2ccco2)[nH]1
InChIInChI=1S/C8H7N3O2S/c1-12-7-9-6(10-8(14)11-7)5-3-2-4-13-5/h2-4H,1H3,(H,9,10,11,14)
InChIKeyADUQVFDOUUBQPB-UHFFFAOYSA-N
MW209.23 g/mol
LogP1.80
Rot. Bonds2

About 2-(furan-2-yl)-6-methoxy-1H-1,3,5-triazine-4-thione

2-(furan-2-yl)-6-methoxy-1H-1,3,5-triazine-4-thione (PubChem CID 106518179) has the molecular formula C8H7N3O2S and a molecular weight of 209.23 g/mol. Its IUPAC name is 2-(furan-2-yl)-6-methoxy-1H-1,3,5-triazine-4-thione.

Molecular Properties

Compound Name2-(furan-2-yl)-6-methoxy-1H-1,3,5-triazine-4-thione
PubChem CID106518179
Molecular FormulaC8H7N3O2S
Molecular Weight209.23 g/mol
Exact Mass209.03
IUPAC Name2-(furan-2-yl)-6-methoxy-1H-1,3,5-triazine-4-thione
SMILESCOc1nc(=S)nc(-c2ccco2)[nH]1
InChIInChI=1S/C8H7N3O2S/c1-12-7-9-6(10-8(14)11-7)5-3-2-4-13-5/h2-4H,1H3,(H,9,10,11,14)
InChIKeyADUQVFDOUUBQPB-UHFFFAOYSA-N
XLogP1.80
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(furan-2-yl)-5-methyl-1H-imidazo[4,5-b]pyridine
CID 81136731
2-(furan-2-yl)-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile
CID 134693303
2-(3-chloro-4-fluorophenyl)-6-methoxy-1H-1,3,5-triazine-4-thione
CID 106521080
2-(furan-2-yl)-5-methyl-4-phenyl-1H-imidazole
CID 73335465
2-(furan-2-yl)-1H-benzimidazole;hydrochloride
CID 163330035
2-(furan-2-yl)-7,8-dimethoxy-3,5-dihydropyrimido[5,4-b]indol-4-one
CID 135511118
2-(furan-2-yl)-6-(1-methylpyrazol-4-yl)-1H-pyrimidine-4-thione
CID 106716371
2-(furan-2-yl)-3H-imidazo[4,5-f]quinoxaline
CID 13428669
2-(furan-2-yl)-6-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-1H-benzimidazole
CID 57047313
4-(furan-2-yl)-6-methyl-1H-pyrimidine-2-thione
CID 106518148
2-(furan-2-yl)-6-methyl-1H-imidazo[4,5-b]pyridine
CID 79795542
ethane;2-(furan-2-yl)furan
CID 161366084

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-6-methoxy-1H-1,3,5-triazine-4-thione?
The IUPAC name of 2-(furan-2-yl)-6-methoxy-1H-1,3,5-triazine-4-thione (CID 106518179) is 2-(furan-2-yl)-6-methoxy-1H-1,3,5-triazine-4-thione.
What is the SMILES notation for 2-(furan-2-yl)-6-methoxy-1H-1,3,5-triazine-4-thione?
The canonical SMILES for 2-(furan-2-yl)-6-methoxy-1H-1,3,5-triazine-4-thione is COc1nc(=S)nc(-c2ccco2)[nH]1.
What is the InChIKey of 2-(furan-2-yl)-6-methoxy-1H-1,3,5-triazine-4-thione?
The InChIKey is ADUQVFDOUUBQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2S/c1-12-7-9-6(10-8(14)11-7)5-3-2-4-13-5/h2-4H,1H3,(H,9,10,11,14).
What are the key properties of 2-(furan-2-yl)-6-methoxy-1H-1,3,5-triazine-4-thione?
2-(furan-2-yl)-6-methoxy-1H-1,3,5-triazine-4-thione has a molecular weight of 209.23 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-6-methoxy-1H-1,3,5-triazine-4-thione is sourced from PubChem (CID 106518179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).