(6-tert-butylpyrazin-2-yl)-methyl-methylidene-oxo-λ6-sulfane

C10H16N2OS — CID 158456152

IUPAC(6-tert-butylpyrazin-2-yl)-methyl-methylidene-oxo-λ6-sulfane
SMILESC=S(C)(=O)c1cncc(C(C)(C)C)n1
InChIInChI=1S/C10H16N2OS/c1-10(2,3)8-6-11-7-9(12-8)14(4,5)13/h6-7H,4H2,1-3,5H3
InChIKeyRZTGUHJAIUBYGL-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.48
Rot. Bonds1

About (6-tert-butylpyrazin-2-yl)-methyl-methylidene-oxo-λ6-sulfane

(6-tert-butylpyrazin-2-yl)-methyl-methylidene-oxo-λ6-sulfane (PubChem CID 158456152) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is (6-tert-butylpyrazin-2-yl)-methyl-methylidene-oxo-λ6-sulfane.

Molecular Properties

Compound Name(6-tert-butylpyrazin-2-yl)-methyl-methylidene-oxo-λ6-sulfane
PubChem CID158456152
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name(6-tert-butylpyrazin-2-yl)-methyl-methylidene-oxo-λ6-sulfane
SMILESC=S(C)(=O)c1cncc(C(C)(C)C)n1
InChIInChI=1S/C10H16N2OS/c1-10(2,3)8-6-11-7-9(12-8)14(4,5)13/h6-7H,4H2,1-3,5H3
InChIKeyRZTGUHJAIUBYGL-UHFFFAOYSA-N
XLogP1.48
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.48
H-Bond Donors ≤ 50
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 (6-tert-butylpyrazin-2-yl)-methyl-methylidene-oxo-λ6-sulfane?
The IUPAC name of (6-tert-butylpyrazin-2-yl)-methyl-methylidene-oxo-λ6-sulfane (CID 158456152) is (6-tert-butylpyrazin-2-yl)-methyl-methylidene-oxo-λ6-sulfane.
What is the SMILES notation for (6-tert-butylpyrazin-2-yl)-methyl-methylidene-oxo-λ6-sulfane?
The canonical SMILES for (6-tert-butylpyrazin-2-yl)-methyl-methylidene-oxo-λ6-sulfane is C=S(C)(=O)c1cncc(C(C)(C)C)n1.
What is the InChIKey of (6-tert-butylpyrazin-2-yl)-methyl-methylidene-oxo-λ6-sulfane?
The InChIKey is RZTGUHJAIUBYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-10(2,3)8-6-11-7-9(12-8)14(4,5)13/h6-7H,4H2,1-3,5H3.
What are the key properties of (6-tert-butylpyrazin-2-yl)-methyl-methylidene-oxo-λ6-sulfane?
(6-tert-butylpyrazin-2-yl)-methyl-methylidene-oxo-λ6-sulfane has a molecular weight of 212.32 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-tert-butylpyrazin-2-yl)-methyl-methylidene-oxo-λ6-sulfane is sourced from PubChem (CID 158456152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).