2-(3,6-dimethylpyrazin-2-yl)sulfanyl-2-methylpropan-1-ol

C10H16N2OS — CID 130668327

IUPAC2-(3,6-dimethylpyrazin-2-yl)sulfanyl-2-methylpropan-1-ol
SMILESCc1cnc(C)c(SC(C)(C)CO)n1
InChIInChI=1S/C10H16N2OS/c1-7-5-11-8(2)9(12-7)14-10(3,4)6-13/h5,13H,6H2,1-4H3
InChIKeyFGVSEMLWWYJCPY-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.96
Rot. Bonds3

About 2-(3,6-dimethylpyrazin-2-yl)sulfanyl-2-methylpropan-1-ol

2-(3,6-dimethylpyrazin-2-yl)sulfanyl-2-methylpropan-1-ol (PubChem CID 130668327) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 2-(3,6-dimethylpyrazin-2-yl)sulfanyl-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(3,6-dimethylpyrazin-2-yl)sulfanyl-2-methylpropan-1-ol
PubChem CID130668327
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name2-(3,6-dimethylpyrazin-2-yl)sulfanyl-2-methylpropan-1-ol
SMILESCc1cnc(C)c(SC(C)(C)CO)n1
InChIInChI=1S/C10H16N2OS/c1-7-5-11-8(2)9(12-7)14-10(3,4)6-13/h5,13H,6H2,1-4H3
InChIKeyFGVSEMLWWYJCPY-UHFFFAOYSA-N
XLogP1.96
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dimethylpyrazin-2-yl)sulfanyl-2-methylpropan-1-ol?
The IUPAC name of 2-(3,6-dimethylpyrazin-2-yl)sulfanyl-2-methylpropan-1-ol (CID 130668327) is 2-(3,6-dimethylpyrazin-2-yl)sulfanyl-2-methylpropan-1-ol.
What is the SMILES notation for 2-(3,6-dimethylpyrazin-2-yl)sulfanyl-2-methylpropan-1-ol?
The canonical SMILES for 2-(3,6-dimethylpyrazin-2-yl)sulfanyl-2-methylpropan-1-ol is Cc1cnc(C)c(SC(C)(C)CO)n1.
What is the InChIKey of 2-(3,6-dimethylpyrazin-2-yl)sulfanyl-2-methylpropan-1-ol?
The InChIKey is FGVSEMLWWYJCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-7-5-11-8(2)9(12-7)14-10(3,4)6-13/h5,13H,6H2,1-4H3.
What are the key properties of 2-(3,6-dimethylpyrazin-2-yl)sulfanyl-2-methylpropan-1-ol?
2-(3,6-dimethylpyrazin-2-yl)sulfanyl-2-methylpropan-1-ol has a molecular weight of 212.32 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dimethylpyrazin-2-yl)sulfanyl-2-methylpropan-1-ol is sourced from PubChem (CID 130668327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).