6-methyl-3-propan-2-yl-5-sulfanyl-1H-pyrazine-2-thione

C8H12N2S2 — CID 155478862

IUPAC6-methyl-3-propan-2-yl-5-sulfanyl-1H-pyrazine-2-thione
SMILESCc1[nH]c(=S)c(C(C)C)nc1S
InChIInChI=1S/C8H12N2S2/c1-4(2)6-8(12)9-5(3)7(11)10-6/h4H,1-3H3,(H,9,12)(H,10,11)
InChIKeyJXXVTZYFRJWRET-UHFFFAOYSA-N
MW200.33 g/mol
LogP2.86
Rot. Bonds1

About 6-methyl-3-propan-2-yl-5-sulfanyl-1H-pyrazine-2-thione

6-methyl-3-propan-2-yl-5-sulfanyl-1H-pyrazine-2-thione (PubChem CID 155478862) has the molecular formula C8H12N2S2 and a molecular weight of 200.33 g/mol. Its IUPAC name is 6-methyl-3-propan-2-yl-5-sulfanyl-1H-pyrazine-2-thione.

Molecular Properties

Compound Name6-methyl-3-propan-2-yl-5-sulfanyl-1H-pyrazine-2-thione
PubChem CID155478862
Molecular FormulaC8H12N2S2
Molecular Weight200.33 g/mol
Exact Mass200.04
IUPAC Name6-methyl-3-propan-2-yl-5-sulfanyl-1H-pyrazine-2-thione
SMILESCc1[nH]c(=S)c(C(C)C)nc1S
InChIInChI=1S/C8H12N2S2/c1-4(2)6-8(12)9-5(3)7(11)10-6/h4H,1-3H3,(H,9,12)(H,10,11)
InChIKeyJXXVTZYFRJWRET-UHFFFAOYSA-N
XLogP2.86
TPSA28.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', '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 6-methyl-3-propan-2-yl-5-sulfanyl-1H-pyrazine-2-thione?
The IUPAC name of 6-methyl-3-propan-2-yl-5-sulfanyl-1H-pyrazine-2-thione (CID 155478862) is 6-methyl-3-propan-2-yl-5-sulfanyl-1H-pyrazine-2-thione.
What is the SMILES notation for 6-methyl-3-propan-2-yl-5-sulfanyl-1H-pyrazine-2-thione?
The canonical SMILES for 6-methyl-3-propan-2-yl-5-sulfanyl-1H-pyrazine-2-thione is Cc1[nH]c(=S)c(C(C)C)nc1S.
What is the InChIKey of 6-methyl-3-propan-2-yl-5-sulfanyl-1H-pyrazine-2-thione?
The InChIKey is JXXVTZYFRJWRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S2/c1-4(2)6-8(12)9-5(3)7(11)10-6/h4H,1-3H3,(H,9,12)(H,10,11).
What are the key properties of 6-methyl-3-propan-2-yl-5-sulfanyl-1H-pyrazine-2-thione?
6-methyl-3-propan-2-yl-5-sulfanyl-1H-pyrazine-2-thione has a molecular weight of 200.33 g/mol, XLogP of 2.86, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-propan-2-yl-5-sulfanyl-1H-pyrazine-2-thione is sourced from PubChem (CID 155478862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).