3-pyrazin-2-ylprop-2-yne-1-thiol

C7H6N2S — CID 169485935

IUPAC3-pyrazin-2-ylprop-2-yne-1-thiol
SMILESSCC#Cc1cnccn1
InChIInChI=1S/C7H6N2S/c10-5-1-2-7-6-8-3-4-9-7/h3-4,6,10H,5H2
InChIKeyWLHVYAJSYZDGAM-UHFFFAOYSA-N
MW150.21 g/mol
LogP0.76
Rot. Bonds

About 3-pyrazin-2-ylprop-2-yne-1-thiol

3-pyrazin-2-ylprop-2-yne-1-thiol (PubChem CID 169485935) has the molecular formula C7H6N2S and a molecular weight of 150.21 g/mol. Its IUPAC name is 3-pyrazin-2-ylprop-2-yne-1-thiol.

Molecular Properties

Compound Name3-pyrazin-2-ylprop-2-yne-1-thiol
PubChem CID169485935
Molecular FormulaC7H6N2S
Molecular Weight150.21 g/mol
Exact Mass150.03
IUPAC Name3-pyrazin-2-ylprop-2-yne-1-thiol
SMILESSCC#Cc1cnccn1
InChIInChI=1S/C7H6N2S/c10-5-1-2-7-6-8-3-4-9-7/h3-4,6,10H,5H2
InChIKeyWLHVYAJSYZDGAM-UHFFFAOYSA-N
XLogP0.76
TPSA25.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.21
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-pyrazin-2-ylethynyl)pyrazine
CID 90277956
2-(2-phenylethynyl)pyrazine
CID 13449579
tert-butyl N-(3-pyrazin-2-ylprop-2-ynyl)carbamate
CID 130869027
2-dec-3-en-1,5-diynylpyrazine
CID 71419179
2-[2-(3H-pyrrol-5-yl)ethynyl]pyrazine
CID 20641670
[2-(2-pyrazin-2-ylethynyl)phenyl]methanol
CID 12063886
6-propan-2-yl-5-(2-pyrazin-2-ylethynyl)pyrimidin-4-amine
CID 118582235
3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)prop-2-yne-1-thiol
CID 169486707
2-[(E)-6-pyrazin-2-ylhex-3-en-1,5-diynyl]benzonitrile
CID 87989150
4-(3-sulfanylprop-1-ynyl)-1H-pyrazole-5-carbonitrile
CID 169486039
3-(4-methylpyrimidin-2-yl)prop-2-yne-1-thiol
CID 169485983
3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]prop-2-yne-1-thiol
CID 169486486

Frequently Asked Questions

What is the IUPAC name of 3-pyrazin-2-ylprop-2-yne-1-thiol?
The IUPAC name of 3-pyrazin-2-ylprop-2-yne-1-thiol (CID 169485935) is 3-pyrazin-2-ylprop-2-yne-1-thiol.
What is the SMILES notation for 3-pyrazin-2-ylprop-2-yne-1-thiol?
The canonical SMILES for 3-pyrazin-2-ylprop-2-yne-1-thiol is SCC#Cc1cnccn1.
What is the InChIKey of 3-pyrazin-2-ylprop-2-yne-1-thiol?
The InChIKey is WLHVYAJSYZDGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2S/c10-5-1-2-7-6-8-3-4-9-7/h3-4,6,10H,5H2.
What are the key properties of 3-pyrazin-2-ylprop-2-yne-1-thiol?
3-pyrazin-2-ylprop-2-yne-1-thiol has a molecular weight of 150.21 g/mol, XLogP of 0.76, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrazin-2-ylprop-2-yne-1-thiol is sourced from PubChem (CID 169485935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).