3-prop-2-ynylsulfanylpyridine

C8H7NS — CID 23343482

IUPAC3-prop-2-ynylsulfanylpyridine
SMILESC#CCSc1cccnc1
InChIInChI=1S/C8H7NS/c1-2-6-10-8-4-3-5-9-7-8/h1,3-5,7H,6H2
InChIKeyZDWQVHLMLOCIPJ-UHFFFAOYSA-N
MW149.22 g/mol
LogP1.81
Rot. Bonds2

About 3-prop-2-ynylsulfanylpyridine

3-prop-2-ynylsulfanylpyridine (PubChem CID 23343482) has the molecular formula C8H7NS and a molecular weight of 149.22 g/mol. Its IUPAC name is 3-prop-2-ynylsulfanylpyridine.

Molecular Properties

Compound Name3-prop-2-ynylsulfanylpyridine
PubChem CID23343482
Molecular FormulaC8H7NS
Molecular Weight149.22 g/mol
Exact Mass149.03
IUPAC Name3-prop-2-ynylsulfanylpyridine
SMILESC#CCSc1cccnc1
InChIInChI=1S/C8H7NS/c1-2-6-10-8-4-3-5-9-7-8/h1,3-5,7H,6H2
InChIKeyZDWQVHLMLOCIPJ-UHFFFAOYSA-N
XLogP1.81
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.22
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2-pyridin-3-ylsulfanylethylamino)pyridine-3-carbonitrile
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acetic acid;3-(2-methylpropylsulfanyl)pyridine
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3-(ethynylsulfanylmethyl)pyridine
CID 69152778
N-(1-pyridin-3-ylethyl)prop-2-yn-1-amine
CID 43176996
1-pyridin-3-ylpent-4-yn-1-ol
CID 15085517
3-(phenylsulfanylmethyl)pyridine;hydrochloride
CID 71374325
1-methyl-4-prop-2-ynylsulfanylpyrazole
CID 61385032
S-pyridin-3-yl propanethioate
CID 56621142
ethane;3-ethynylpyridine
CID 143766952
1-pyridin-3-ylpent-4-yn-2-one
CID 62551536
N-pyridin-3-ylsulfanylpropan-2-amine
CID 145049132
[phosphono(pyridin-3-ylsulfanyl)methyl]phosphonic acid
CID 15170606

Frequently Asked Questions

What is the IUPAC name of 3-prop-2-ynylsulfanylpyridine?
The IUPAC name of 3-prop-2-ynylsulfanylpyridine (CID 23343482) is 3-prop-2-ynylsulfanylpyridine.
What is the SMILES notation for 3-prop-2-ynylsulfanylpyridine?
The canonical SMILES for 3-prop-2-ynylsulfanylpyridine is C#CCSc1cccnc1.
What is the InChIKey of 3-prop-2-ynylsulfanylpyridine?
The InChIKey is ZDWQVHLMLOCIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NS/c1-2-6-10-8-4-3-5-9-7-8/h1,3-5,7H,6H2.
What are the key properties of 3-prop-2-ynylsulfanylpyridine?
3-prop-2-ynylsulfanylpyridine has a molecular weight of 149.22 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-ynylsulfanylpyridine is sourced from PubChem (CID 23343482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).