2-methyl-3-pyrazin-2-ylsulfanylpropan-1-ol

C8H12N2OS — CID 66103301

IUPAC2-methyl-3-pyrazin-2-ylsulfanylpropan-1-ol
SMILESCC(CO)CSc1cnccn1
InChIInChI=1S/C8H12N2OS/c1-7(5-11)6-12-8-4-9-2-3-10-8/h2-4,7,11H,5-6H2,1H3
InChIKeyKEBLRDLJGICBLL-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.20
Rot. Bonds4

About 2-methyl-3-pyrazin-2-ylsulfanylpropan-1-ol

2-methyl-3-pyrazin-2-ylsulfanylpropan-1-ol (PubChem CID 66103301) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 2-methyl-3-pyrazin-2-ylsulfanylpropan-1-ol.

Molecular Properties

Compound Name2-methyl-3-pyrazin-2-ylsulfanylpropan-1-ol
PubChem CID66103301
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name2-methyl-3-pyrazin-2-ylsulfanylpropan-1-ol
SMILESCC(CO)CSc1cnccn1
InChIInChI=1S/C8H12N2OS/c1-7(5-11)6-12-8-4-9-2-3-10-8/h2-4,7,11H,5-6H2,1H3
InChIKeyKEBLRDLJGICBLL-UHFFFAOYSA-N
XLogP1.20
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-pyrazin-2-ylsulfanylpropan-1-ol?
The IUPAC name of 2-methyl-3-pyrazin-2-ylsulfanylpropan-1-ol (CID 66103301) is 2-methyl-3-pyrazin-2-ylsulfanylpropan-1-ol.
What is the SMILES notation for 2-methyl-3-pyrazin-2-ylsulfanylpropan-1-ol?
The canonical SMILES for 2-methyl-3-pyrazin-2-ylsulfanylpropan-1-ol is CC(CO)CSc1cnccn1.
What is the InChIKey of 2-methyl-3-pyrazin-2-ylsulfanylpropan-1-ol?
The InChIKey is KEBLRDLJGICBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-7(5-11)6-12-8-4-9-2-3-10-8/h2-4,7,11H,5-6H2,1H3.
What are the key properties of 2-methyl-3-pyrazin-2-ylsulfanylpropan-1-ol?
2-methyl-3-pyrazin-2-ylsulfanylpropan-1-ol has a molecular weight of 184.26 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-pyrazin-2-ylsulfanylpropan-1-ol is sourced from PubChem (CID 66103301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).