3-(furan-3-yl)-5,6-dimethyl-1H-pyrazine-2-thione

C10H10N2OS — CID 106518129

IUPAC3-(furan-3-yl)-5,6-dimethyl-1H-pyrazine-2-thione
SMILESCc1nc(-c2ccoc2)c(=S)[nH]c1C
InChIInChI=1S/C10H10N2OS/c1-6-7(2)12-10(14)9(11-6)8-3-4-13-5-8/h3-5H,1-2H3,(H,12,14)
InChIKeyZMVYGYSFBRHXRU-UHFFFAOYSA-N
MW206.27 g/mol
LogP3.02
Rot. Bonds1

About 3-(furan-3-yl)-5,6-dimethyl-1H-pyrazine-2-thione

3-(furan-3-yl)-5,6-dimethyl-1H-pyrazine-2-thione (PubChem CID 106518129) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is 3-(furan-3-yl)-5,6-dimethyl-1H-pyrazine-2-thione.

Molecular Properties

Compound Name3-(furan-3-yl)-5,6-dimethyl-1H-pyrazine-2-thione
PubChem CID106518129
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC Name3-(furan-3-yl)-5,6-dimethyl-1H-pyrazine-2-thione
SMILESCc1nc(-c2ccoc2)c(=S)[nH]c1C
InChIInChI=1S/C10H10N2OS/c1-6-7(2)12-10(14)9(11-6)8-3-4-13-5-8/h3-5H,1-2H3,(H,12,14)
InChIKeyZMVYGYSFBRHXRU-UHFFFAOYSA-N
XLogP3.02
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-3-yl)-5,6-dimethyl-1H-pyrazine-2-thione?
The IUPAC name of 3-(furan-3-yl)-5,6-dimethyl-1H-pyrazine-2-thione (CID 106518129) is 3-(furan-3-yl)-5,6-dimethyl-1H-pyrazine-2-thione.
What is the SMILES notation for 3-(furan-3-yl)-5,6-dimethyl-1H-pyrazine-2-thione?
The canonical SMILES for 3-(furan-3-yl)-5,6-dimethyl-1H-pyrazine-2-thione is Cc1nc(-c2ccoc2)c(=S)[nH]c1C.
What is the InChIKey of 3-(furan-3-yl)-5,6-dimethyl-1H-pyrazine-2-thione?
The InChIKey is ZMVYGYSFBRHXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS/c1-6-7(2)12-10(14)9(11-6)8-3-4-13-5-8/h3-5H,1-2H3,(H,12,14).
What are the key properties of 3-(furan-3-yl)-5,6-dimethyl-1H-pyrazine-2-thione?
3-(furan-3-yl)-5,6-dimethyl-1H-pyrazine-2-thione has a molecular weight of 206.27 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-3-yl)-5,6-dimethyl-1H-pyrazine-2-thione is sourced from PubChem (CID 106518129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).