3-butyl-5,6-dimethyl-1H-pyrazine-2-thione

C10H16N2S — CID 106659474

IUPAC3-butyl-5,6-dimethyl-1H-pyrazine-2-thione
SMILESCCCCc1nc(C)c(C)[nH]c1=S
InChIInChI=1S/C10H16N2S/c1-4-5-6-9-10(13)12-8(3)7(2)11-9/h4-6H2,1-3H3,(H,12,13)
InChIKeyMFDHQYFJRLVRPC-UHFFFAOYSA-N
MW196.32 g/mol
LogP3.10
Rot. Bonds3

About 3-butyl-5,6-dimethyl-1H-pyrazine-2-thione

3-butyl-5,6-dimethyl-1H-pyrazine-2-thione (PubChem CID 106659474) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is 3-butyl-5,6-dimethyl-1H-pyrazine-2-thione.

Molecular Properties

Compound Name3-butyl-5,6-dimethyl-1H-pyrazine-2-thione
PubChem CID106659474
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name3-butyl-5,6-dimethyl-1H-pyrazine-2-thione
SMILESCCCCc1nc(C)c(C)[nH]c1=S
InChIInChI=1S/C10H16N2S/c1-4-5-6-9-10(13)12-8(3)7(2)11-9/h4-6H2,1-3H3,(H,12,13)
InChIKeyMFDHQYFJRLVRPC-UHFFFAOYSA-N
XLogP3.10
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-cyclopropyl-5,6-dimethyl-1H-pyrazine-2-thione
CID 106516199
5,6-dimethyl-3-(2-methylpropyl)-1H-pyrazine-2-thione
CID 106517862
5,6-dimethyl-3-propan-2-yl-1H-pyrazine-2-thione
CID 106517899

Frequently Asked Questions

What is the IUPAC name of 3-butyl-5,6-dimethyl-1H-pyrazine-2-thione?
The IUPAC name of 3-butyl-5,6-dimethyl-1H-pyrazine-2-thione (CID 106659474) is 3-butyl-5,6-dimethyl-1H-pyrazine-2-thione.
What is the SMILES notation for 3-butyl-5,6-dimethyl-1H-pyrazine-2-thione?
The canonical SMILES for 3-butyl-5,6-dimethyl-1H-pyrazine-2-thione is CCCCc1nc(C)c(C)[nH]c1=S.
What is the InChIKey of 3-butyl-5,6-dimethyl-1H-pyrazine-2-thione?
The InChIKey is MFDHQYFJRLVRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-4-5-6-9-10(13)12-8(3)7(2)11-9/h4-6H2,1-3H3,(H,12,13).
What are the key properties of 3-butyl-5,6-dimethyl-1H-pyrazine-2-thione?
3-butyl-5,6-dimethyl-1H-pyrazine-2-thione has a molecular weight of 196.32 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-5,6-dimethyl-1H-pyrazine-2-thione is sourced from PubChem (CID 106659474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).