2-pyridin-4-ylpropane-1-thiol

C8H11NS — CID 146504798

IUPAC2-pyridin-4-ylpropane-1-thiol
SMILESCC(CS)c1ccncc1
InChIInChI=1S/C8H11NS/c1-7(6-10)8-2-4-9-5-3-8/h2-5,7,10H,6H2,1H3
InChIKeySPCRMSABRKHTIA-UHFFFAOYSA-N
MW153.25 g/mol
LogP2.11
Rot. Bonds2

About 2-pyridin-4-ylpropane-1-thiol

2-pyridin-4-ylpropane-1-thiol (PubChem CID 146504798) has the molecular formula C8H11NS and a molecular weight of 153.25 g/mol. Its IUPAC name is 2-pyridin-4-ylpropane-1-thiol.

Molecular Properties

Compound Name2-pyridin-4-ylpropane-1-thiol
PubChem CID146504798
Molecular FormulaC8H11NS
Molecular Weight153.25 g/mol
Exact Mass153.06
IUPAC Name2-pyridin-4-ylpropane-1-thiol
SMILESCC(CS)c1ccncc1
InChIInChI=1S/C8H11NS/c1-7(6-10)8-2-4-9-5-3-8/h2-5,7,10H,6H2,1H3
InChIKeySPCRMSABRKHTIA-UHFFFAOYSA-N
XLogP2.11
TPSA12.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(2S)-pentan-2-yl]pyridine
CID 166675231
4-pyridin-4-ylpentan-2-amine
CID 112714269
(1R)-1-pyridin-4-ylethanethiol
CID 92977193
4-(1-ethyl-3-pyridin-4-ylbutyl)pyridine
CID 18346387
4-(4-bromo-3-methylbutan-2-yl)pyridine
CID 83929850
2-pyridin-4-ylpropanedithioic acid
CID 150260609
4-[1-(4-methylsulfanylphenyl)propan-2-yl]pyridine
CID 170194633
3-(1-sulfanylpropan-2-yl)pyridine-4-carboxylic acid
CID 135296132
tris(4-propan-2-ylpyridine);trichlorochromium
CID 19688799
zinc tetrakis(4-pentan-3-ylpyridine)
CID 50909730
3-(4-pyridin-4-ylphenyl)butan-1-amine
CID 82542949
4-(7-phenylheptan-2-yl)pyridine
CID 14883828

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-ylpropane-1-thiol?
The IUPAC name of 2-pyridin-4-ylpropane-1-thiol (CID 146504798) is 2-pyridin-4-ylpropane-1-thiol.
What is the SMILES notation for 2-pyridin-4-ylpropane-1-thiol?
The canonical SMILES for 2-pyridin-4-ylpropane-1-thiol is CC(CS)c1ccncc1.
What is the InChIKey of 2-pyridin-4-ylpropane-1-thiol?
The InChIKey is SPCRMSABRKHTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS/c1-7(6-10)8-2-4-9-5-3-8/h2-5,7,10H,6H2,1H3.
What are the key properties of 2-pyridin-4-ylpropane-1-thiol?
2-pyridin-4-ylpropane-1-thiol has a molecular weight of 153.25 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-ylpropane-1-thiol is sourced from PubChem (CID 146504798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).