1-(3-fluoro-4-pyridinyl)ethanethiol

C7H8FNS — CID 89277032

IUPAC1-(3-fluoro-4-pyridinyl)ethanethiol
SMILESCC(S)c1ccncc1F
InChIInChI=1S/C7H8FNS/c1-5(10)6-2-3-9-4-7(6)8/h2-5,10H,1H3
InChIKeyKEFLEEJPPBBDNH-UHFFFAOYSA-N
MW157.21 g/mol
LogP2.21
Rot. Bonds1

About 1-(3-fluoro-4-pyridinyl)ethanethiol

1-(3-fluoro-4-pyridinyl)ethanethiol (PubChem CID 89277032) has the molecular formula C7H8FNS and a molecular weight of 157.21 g/mol. Its IUPAC name is 1-(3-fluoro-4-pyridinyl)ethanethiol.

Molecular Properties

Compound Name1-(3-fluoro-4-pyridinyl)ethanethiol
PubChem CID89277032
Molecular FormulaC7H8FNS
Molecular Weight157.21 g/mol
Exact Mass157.04
IUPAC Name1-(3-fluoro-4-pyridinyl)ethanethiol
SMILESCC(S)c1ccncc1F
InChIInChI=1S/C7H8FNS/c1-5(10)6-2-3-9-4-7(6)8/h2-5,10H,1H3
InChIKeyKEFLEEJPPBBDNH-UHFFFAOYSA-N
XLogP2.21
TPSA12.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 52.21
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-(3-bromobutan-2-yl)-3-fluoropyridine
CID 104738939
2-(3-fluoro-4-pyridinyl)propan-1-amine
CID 84649949
2-(3-fluoro-4-pyridinyl)propan-1-amine;hydrochloride
CID 84662951
(1R)-1-(4-chloro-3-pyridinyl)ethanethiol
CID 163825883
3-(3-fluoro-4-pyridinyl)-N-propan-2-ylbutan-1-amine
CID 104739416
N-[1-(3-fluoro-4-pyridinyl)ethyl]but-2-yn-1-amine
CID 130616226
1-(3-fluoro-4-pyridinyl)butane-1,2-diol
CID 103454633
(3-fluoro-4-pyridinyl)-(5-methylpyrazin-2-yl)methanamine
CID 105182010
N-ethyl-3-(3-fluoro-4-pyridinyl)butan-1-amine
CID 104739414
1-(3-fluoro-4-pyridinyl)prop-2-yn-1-ol
CID 105106256
1-(3-fluoro-4-pyridinyl)prop-2-en-1-amine
CID 55295239
(3-fluoro-4-pyridinyl)-(2,3,4,5,6-pentafluorophenyl)methanol
CID 115833939

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-pyridinyl)ethanethiol?
The IUPAC name of 1-(3-fluoro-4-pyridinyl)ethanethiol (CID 89277032) is 1-(3-fluoro-4-pyridinyl)ethanethiol.
What is the SMILES notation for 1-(3-fluoro-4-pyridinyl)ethanethiol?
The canonical SMILES for 1-(3-fluoro-4-pyridinyl)ethanethiol is CC(S)c1ccncc1F.
What is the InChIKey of 1-(3-fluoro-4-pyridinyl)ethanethiol?
The InChIKey is KEFLEEJPPBBDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNS/c1-5(10)6-2-3-9-4-7(6)8/h2-5,10H,1H3.
What are the key properties of 1-(3-fluoro-4-pyridinyl)ethanethiol?
1-(3-fluoro-4-pyridinyl)ethanethiol has a molecular weight of 157.21 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-pyridinyl)ethanethiol is sourced from PubChem (CID 89277032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).