3-(ethynylsulfanylmethyl)pyridine

C8H7NS — CID 69152778

IUPAC3-(ethynylsulfanylmethyl)pyridine
SMILESC#CSCc1cccnc1
InChIInChI=1S/C8H7NS/c1-2-10-7-8-4-3-5-9-6-8/h1,3-6H,7H2
InChIKeyBVTPTCWZRVWJKD-UHFFFAOYSA-N
MW149.22 g/mol
LogP1.91
Rot. Bonds2

About 3-(ethynylsulfanylmethyl)pyridine

3-(ethynylsulfanylmethyl)pyridine (PubChem CID 69152778) has the molecular formula C8H7NS and a molecular weight of 149.22 g/mol. Its IUPAC name is 3-(ethynylsulfanylmethyl)pyridine.

Molecular Properties

Compound Name3-(ethynylsulfanylmethyl)pyridine
PubChem CID69152778
Molecular FormulaC8H7NS
Molecular Weight149.22 g/mol
Exact Mass149.03
IUPAC Name3-(ethynylsulfanylmethyl)pyridine
SMILESC#CSCc1cccnc1
InChIInChI=1S/C8H7NS/c1-2-10-7-8-4-3-5-9-6-8/h1,3-6H,7H2
InChIKeyBVTPTCWZRVWJKD-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
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

3-(benzylsulfanylmethyl)pyridine
CID 3025143
3-(ethylsulfanylmethyl)pyridine
CID 3025109
3-(pyridin-3-ylmethyl)pyridine
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3-(but-2-ynylsulfanylmethyl)pyridine
CID 130709571
3-(phenylsulfanylmethyl)pyridine;hydrochloride
CID 71374325
3-[[2-[4,5-bis(pyridin-3-ylmethylsulfanyl)-1,3-dithiol-2-ylidene]-5-(pyridin-3-ylmethylsulfanyl)-1,3-dithiol-4-yl]sulfanylmethyl]pyridine
CID 101228131
6-(pyridin-3-ylmethylsulfanylmethyl)isoquinoline
CID 166359977
bis(pyridin-3-ylmethyl)azanium
CID 6946562
3-ethylpyridine
CID 10823
1-pyridin-3-ylpent-4-yn-2-one
CID 62551536
2-methyl-1-(pyridin-3-ylmethylsulfanyl)propan-2-amine
CID 66230417
ethene;1-pyridin-3-ylbut-3-yn-2-one
CID 143759545

Frequently Asked Questions

What is the IUPAC name of 3-(ethynylsulfanylmethyl)pyridine?
The IUPAC name of 3-(ethynylsulfanylmethyl)pyridine (CID 69152778) is 3-(ethynylsulfanylmethyl)pyridine.
What is the SMILES notation for 3-(ethynylsulfanylmethyl)pyridine?
The canonical SMILES for 3-(ethynylsulfanylmethyl)pyridine is C#CSCc1cccnc1.
What is the InChIKey of 3-(ethynylsulfanylmethyl)pyridine?
The InChIKey is BVTPTCWZRVWJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NS/c1-2-10-7-8-4-3-5-9-6-8/h1,3-6H,7H2.
What are the key properties of 3-(ethynylsulfanylmethyl)pyridine?
3-(ethynylsulfanylmethyl)pyridine has a molecular weight of 149.22 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethynylsulfanylmethyl)pyridine is sourced from PubChem (CID 69152778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).