3-pyridin-4-ylsulfanylpropan-1-ol

C8H11NOS — CID 19079134

IUPAC3-pyridin-4-ylsulfanylpropan-1-ol
SMILESOCCCSc1ccncc1
InChIInChI=1S/C8H11NOS/c10-6-1-7-11-8-2-4-9-5-3-8/h2-5,10H,1,6-7H2
InChIKeyOUCSZKWRKZPPMC-UHFFFAOYSA-N
MW169.25 g/mol
LogP1.56
Rot. Bonds4

About 3-pyridin-4-ylsulfanylpropan-1-ol

3-pyridin-4-ylsulfanylpropan-1-ol (PubChem CID 19079134) has the molecular formula C8H11NOS and a molecular weight of 169.25 g/mol. Its IUPAC name is 3-pyridin-4-ylsulfanylpropan-1-ol.

Molecular Properties

Compound Name3-pyridin-4-ylsulfanylpropan-1-ol
PubChem CID19079134
Molecular FormulaC8H11NOS
Molecular Weight169.25 g/mol
Exact Mass169.06
IUPAC Name3-pyridin-4-ylsulfanylpropan-1-ol
SMILESOCCCSc1ccncc1
InChIInChI=1S/C8H11NOS/c10-6-1-7-11-8-2-4-9-5-3-8/h2-5,10H,1,6-7H2
InChIKeyOUCSZKWRKZPPMC-UHFFFAOYSA-N
XLogP1.56
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3-pyridin-4-ylsulfanylpropylsulfanyl)pyridine;dihydrofluoride
CID 159237641
4-octadecylsulfanylpyridine
CID 177449547
3-(4-aminophenyl)sulfanylpropan-1-ol
CID 43299111
3-(4-bromophenyl)sulfanylpropan-1-ol
CID 43392834
4-pent-4-ynylsulfanylpyridine
CID 115871094
9-pyridin-4-ylsulfanylnonanoic acid
CID 139664242
6-pyridin-4-ylsulfanylhexan-3-one
CID 104623642
N-(3-pyridin-4-ylsulfanylpropyl)pyridine-4-carboxamide
CID 67740105
4-(3,4,4-trifluorobut-3-enylsulfanyl)pyridine
CID 154269112
N-(5-hydroxypentyl)-2-pyridin-4-ylsulfanylacetamide
CID 107318881
2,2-dimethyl-N-(3-pyridin-4-ylsulfanylpropyl)propanamide
CID 15295262
N-(3-pyridin-4-ylsulfanylpropyl)pyrazine-2-carboxamide
CID 15231502

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-4-ylsulfanylpropan-1-ol?
The IUPAC name of 3-pyridin-4-ylsulfanylpropan-1-ol (CID 19079134) is 3-pyridin-4-ylsulfanylpropan-1-ol.
What is the SMILES notation for 3-pyridin-4-ylsulfanylpropan-1-ol?
The canonical SMILES for 3-pyridin-4-ylsulfanylpropan-1-ol is OCCCSc1ccncc1.
What is the InChIKey of 3-pyridin-4-ylsulfanylpropan-1-ol?
The InChIKey is OUCSZKWRKZPPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NOS/c10-6-1-7-11-8-2-4-9-5-3-8/h2-5,10H,1,6-7H2.
What are the key properties of 3-pyridin-4-ylsulfanylpropan-1-ol?
3-pyridin-4-ylsulfanylpropan-1-ol has a molecular weight of 169.25 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-4-ylsulfanylpropan-1-ol is sourced from PubChem (CID 19079134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).