3,6-di(propan-2-yl)-1H-pyrazine-2-thione

C10H16N2S — CID 12957658

IUPAC3,6-di(propan-2-yl)-1H-pyrazine-2-thione
SMILESCC(C)c1cnc(C(C)C)c(=S)[nH]1
InChIInChI=1S/C10H16N2S/c1-6(2)8-5-11-9(7(3)4)10(13)12-8/h5-7H,1-4H3,(H,12,13)
InChIKeyIUPMBUZWFVPJTI-UHFFFAOYSA-N
MW196.32 g/mol
LogP3.39
Rot. Bonds2

About 3,6-di(propan-2-yl)-1H-pyrazine-2-thione

3,6-di(propan-2-yl)-1H-pyrazine-2-thione (PubChem CID 12957658) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is 3,6-di(propan-2-yl)-1H-pyrazine-2-thione.

Molecular Properties

Compound Name3,6-di(propan-2-yl)-1H-pyrazine-2-thione
PubChem CID12957658
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name3,6-di(propan-2-yl)-1H-pyrazine-2-thione
SMILESCC(C)c1cnc(C(C)C)c(=S)[nH]1
InChIInChI=1S/C10H16N2S/c1-6(2)8-5-11-9(7(3)4)10(13)12-8/h5-7H,1-4H3,(H,12,13)
InChIKeyIUPMBUZWFVPJTI-UHFFFAOYSA-N
XLogP3.39
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3,6-di(propan-2-yl)-1H-pyrazine-2-thione?
The IUPAC name of 3,6-di(propan-2-yl)-1H-pyrazine-2-thione (CID 12957658) is 3,6-di(propan-2-yl)-1H-pyrazine-2-thione.
What is the SMILES notation for 3,6-di(propan-2-yl)-1H-pyrazine-2-thione?
The canonical SMILES for 3,6-di(propan-2-yl)-1H-pyrazine-2-thione is CC(C)c1cnc(C(C)C)c(=S)[nH]1.
What is the InChIKey of 3,6-di(propan-2-yl)-1H-pyrazine-2-thione?
The InChIKey is IUPMBUZWFVPJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-6(2)8-5-11-9(7(3)4)10(13)12-8/h5-7H,1-4H3,(H,12,13).
What are the key properties of 3,6-di(propan-2-yl)-1H-pyrazine-2-thione?
3,6-di(propan-2-yl)-1H-pyrazine-2-thione has a molecular weight of 196.32 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-di(propan-2-yl)-1H-pyrazine-2-thione is sourced from PubChem (CID 12957658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).