2-but-3-enylsulfanylpyridine

C9H11NS — CID 15727474

IUPAC2-but-3-enylsulfanylpyridine
SMILESC=CCCSc1ccccn1
InChIInChI=1S/C9H11NS/c1-2-3-8-11-9-6-4-5-7-10-9/h2,4-7H,1,3,8H2
InChIKeyXPAFTJQESKSRSF-UHFFFAOYSA-N
MW165.26 g/mol
LogP2.75
Rot. Bonds4

About 2-but-3-enylsulfanylpyridine

2-but-3-enylsulfanylpyridine (PubChem CID 15727474) has the molecular formula C9H11NS and a molecular weight of 165.26 g/mol. Its IUPAC name is 2-but-3-enylsulfanylpyridine.

Molecular Properties

Compound Name2-but-3-enylsulfanylpyridine
PubChem CID15727474
Molecular FormulaC9H11NS
Molecular Weight165.26 g/mol
Exact Mass165.06
IUPAC Name2-but-3-enylsulfanylpyridine
SMILESC=CCCSc1ccccn1
InChIInChI=1S/C9H11NS/c1-2-3-8-11-9-6-4-5-7-10-9/h2,4-7H,1,3,8H2
InChIKeyXPAFTJQESKSRSF-UHFFFAOYSA-N
XLogP2.75
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(but-3-enyldisulfanyl)pyridine
CID 89193061
2-[3-(3-pyridin-2-ylsulfanylpropoxy)propylsulfanyl]pyridine
CID 142063341
6-pyridin-2-ylsulfanylhexan-1-amine
CID 15227692
2-[2-(2-pyridin-2-ylsulfanylethylsulfanyl)ethylsulfanyl]ethanethiol
CID 175064899
2-[3-(3-pyridin-2-ylsulfanylpropylsulfinyl)propylsulfanyl]pyridine
CID 56616691
oxo(3-pyridin-2-ylsulfanylpropyl)phosphanium
CID 175332241
N-ethyl-2-pyridin-2-ylsulfanylethanamine
CID 53211548
pyridin-2-ylsulfanylmethylboronic acid
CID 53216397
2-[4-(4-pyridin-2-ylsulfanylbutylsulfonyl)butylsulfanyl]pyridine
CID 56631475
N-methyl-4-pyridin-2-ylsulfanylbutan-1-amine
CID 62578791
5-pyridin-2-ylsulfanylpentanenitrile
CID 19843929
2-hydroxysulfanylpyridine
CID 12046445

Frequently Asked Questions

What is the IUPAC name of 2-but-3-enylsulfanylpyridine?
The IUPAC name of 2-but-3-enylsulfanylpyridine (CID 15727474) is 2-but-3-enylsulfanylpyridine.
What is the SMILES notation for 2-but-3-enylsulfanylpyridine?
The canonical SMILES for 2-but-3-enylsulfanylpyridine is C=CCCSc1ccccn1.
What is the InChIKey of 2-but-3-enylsulfanylpyridine?
The InChIKey is XPAFTJQESKSRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NS/c1-2-3-8-11-9-6-4-5-7-10-9/h2,4-7H,1,3,8H2.
What are the key properties of 2-but-3-enylsulfanylpyridine?
2-but-3-enylsulfanylpyridine has a molecular weight of 165.26 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enylsulfanylpyridine is sourced from PubChem (CID 15727474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).