5-ethynylpyridine-3-thiol

C7H5NS — CID 74892547

IUPAC5-ethynylpyridine-3-thiol
SMILESC#Cc1cncc(S)c1
InChIInChI=1S/C7H5NS/c1-2-6-3-7(9)5-8-4-6/h1,3-5,9H
InChIKeyFVXXNHZNKXGPAQ-UHFFFAOYSA-N
MW135.19 g/mol
LogP1.35
Rot. Bonds

About 5-ethynylpyridine-3-thiol

5-ethynylpyridine-3-thiol (PubChem CID 74892547) has the molecular formula C7H5NS and a molecular weight of 135.19 g/mol. Its IUPAC name is 5-ethynylpyridine-3-thiol.

Molecular Properties

Compound Name5-ethynylpyridine-3-thiol
PubChem CID74892547
Molecular FormulaC7H5NS
Molecular Weight135.19 g/mol
Exact Mass135.01
IUPAC Name5-ethynylpyridine-3-thiol
SMILESC#Cc1cncc(S)c1
InChIInChI=1S/C7H5NS/c1-2-6-3-7(9)5-8-4-6/h1,3-5,9H
InChIKeyFVXXNHZNKXGPAQ-UHFFFAOYSA-N
XLogP1.35
TPSA12.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.19
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

3-[2-[3,5-bis[2-(5-ethynyl-3-pyridinyl)ethynyl]phenyl]ethynyl]-5-ethynylpyridine
CID 143762177
3,5-diethynylbenzenethiol
CID 87439439
3-bromo-5-ethynylpyridine;hydrochloride
CID 154574940
5-ethynylpyrimidine
CID 1475194
1-(5-ethynyl-3-pyridinyl)ethanamine
CID 74788737
3,5-bis[2-(3-ethynylphenyl)ethynyl]pyridine
CID 15911031
(1R)-1-(5-ethynyl-3-pyridinyl)ethane-1,2-diamine
CID 74891559
5-ethynyl-N,N-dimethylpyridine-3-carboxamide
CID 130118726
ethane;5-methylpyridine-3-thiol
CID 144877949
2-chloro-5-ethynylpyridin-3-ol
CID 74892636
1-(5-ethynyl-3-pyridinyl)-N-methylpiperidin-2-amine
CID 87778431
(1S,5S)-6-(5-ethynyl-3-pyridinyl)-3-azabicyclo[3.2.0]hept-6-ene
CID 87915213

Frequently Asked Questions

What is the IUPAC name of 5-ethynylpyridine-3-thiol?
The IUPAC name of 5-ethynylpyridine-3-thiol (CID 74892547) is 5-ethynylpyridine-3-thiol.
What is the SMILES notation for 5-ethynylpyridine-3-thiol?
The canonical SMILES for 5-ethynylpyridine-3-thiol is C#Cc1cncc(S)c1.
What is the InChIKey of 5-ethynylpyridine-3-thiol?
The InChIKey is FVXXNHZNKXGPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NS/c1-2-6-3-7(9)5-8-4-6/h1,3-5,9H.
What are the key properties of 5-ethynylpyridine-3-thiol?
5-ethynylpyridine-3-thiol has a molecular weight of 135.19 g/mol, XLogP of 1.35, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethynylpyridine-3-thiol is sourced from PubChem (CID 74892547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).