6-methyl-5-phenyl-1H-pyrazine-2-thione

C11H10N2S — CID 20978320

IUPAC6-methyl-5-phenyl-1H-pyrazine-2-thione
SMILESCc1[nH]c(=S)cnc1-c1ccccc1
InChIInChI=1S/C11H10N2S/c1-8-11(12-7-10(14)13-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,13,14)
InChIKeySJXNRAYVSLKOGK-UHFFFAOYSA-N
MW202.28 g/mol
LogP3.11
Rot. Bonds1

About 6-methyl-5-phenyl-1H-pyrazine-2-thione

6-methyl-5-phenyl-1H-pyrazine-2-thione (PubChem CID 20978320) has the molecular formula C11H10N2S and a molecular weight of 202.28 g/mol. Its IUPAC name is 6-methyl-5-phenyl-1H-pyrazine-2-thione.

Molecular Properties

Compound Name6-methyl-5-phenyl-1H-pyrazine-2-thione
PubChem CID20978320
Molecular FormulaC11H10N2S
Molecular Weight202.28 g/mol
Exact Mass202.06
IUPAC Name6-methyl-5-phenyl-1H-pyrazine-2-thione
SMILESCc1[nH]c(=S)cnc1-c1ccccc1
InChIInChI=1S/C11H10N2S/c1-8-11(12-7-10(14)13-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,13,14)
InChIKeySJXNRAYVSLKOGK-UHFFFAOYSA-N
XLogP3.11
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 53.11
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

2,5-diphenyl-1H-imidazole;5-methyl-2,4-diphenyl-1H-imidazole
CID 67847310
(5-methyl-4-phenyl-1H-imidazol-2-yl)methanamine
CID 43649240
3,4,5-trimethyl-2-phenylpyridine
CID 59359504
N,N,5-trimethyl-4-phenyl-1H-imidazol-2-amine
CID 15621635
5-chloro-3-methyl-2,4-diphenylpyridine
CID 175042905
5-fluoro-3-methyl-2-phenylpyridine
CID 46314858
4-methyl-6-phenyl-1H-pyridine-2-thione
CID 21452512
2-methyl-5-(4-phenyl-1H-imidazol-5-yl)-1H-imidazole
CID 50984124
5-methyl-4-phenyl-2-(5-phenylpentyl)-1H-imidazole
CID 139695615
3-(5-methyl-4-phenyl-1H-imidazol-2-yl)propanoic acid
CID 82474293
6-ethyl-5-phenyl-1H-pyrazin-2-one
CID 165448150
(1S)-2-methyl-1-(5-methyl-4-phenyl-1H-imidazol-2-yl)propan-1-amine
CID 102970498

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-phenyl-1H-pyrazine-2-thione?
The IUPAC name of 6-methyl-5-phenyl-1H-pyrazine-2-thione (CID 20978320) is 6-methyl-5-phenyl-1H-pyrazine-2-thione.
What is the SMILES notation for 6-methyl-5-phenyl-1H-pyrazine-2-thione?
The canonical SMILES for 6-methyl-5-phenyl-1H-pyrazine-2-thione is Cc1[nH]c(=S)cnc1-c1ccccc1.
What is the InChIKey of 6-methyl-5-phenyl-1H-pyrazine-2-thione?
The InChIKey is SJXNRAYVSLKOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2S/c1-8-11(12-7-10(14)13-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,13,14).
What are the key properties of 6-methyl-5-phenyl-1H-pyrazine-2-thione?
6-methyl-5-phenyl-1H-pyrazine-2-thione has a molecular weight of 202.28 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-phenyl-1H-pyrazine-2-thione is sourced from PubChem (CID 20978320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).