(1R)-1-pyridin-4-ylethanethiol

C7H9NS — CID 92977193

IUPAC(1R)-1-pyridin-4-ylethanethiol
SMILESC[C@@H](S)c1ccncc1
InChIInChI=1S/C7H9NS/c1-6(9)7-2-4-8-5-3-7/h2-6,9H,1H3/t6-/m1/s1
InChIKeyGIPPXXPTVWLFAO-ZCFIWIBFSA-N
MW139.22 g/mol
LogP2.07
Rot. Bonds1

About (1R)-1-pyridin-4-ylethanethiol

(1R)-1-pyridin-4-ylethanethiol (PubChem CID 92977193) has the molecular formula C7H9NS and a molecular weight of 139.22 g/mol. Its IUPAC name is (1R)-1-pyridin-4-ylethanethiol.

Molecular Properties

Compound Name(1R)-1-pyridin-4-ylethanethiol
PubChem CID92977193
Molecular FormulaC7H9NS
Molecular Weight139.22 g/mol
Exact Mass139.05
IUPAC Name(1R)-1-pyridin-4-ylethanethiol
SMILESC[C@@H](S)c1ccncc1
InChIInChI=1S/C7H9NS/c1-6(9)7-2-4-8-5-3-7/h2-6,9H,1H3/t6-/m1/s1
InChIKeyGIPPXXPTVWLFAO-ZCFIWIBFSA-N
XLogP2.07
TPSA12.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.22
LogP ≤ 52.07
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

tris(4-propan-2-ylpyridine);trichlorochromium
CID 19688799
2-deuterio-4-propan-2-ylpyridine
CID 175918465
2-pyridin-4-ylpropane-1-thiol
CID 146504798
1-(4-propan-2-ylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]ethanamine
CID 81406241
2-pyridin-4-ylpropanedithioic acid
CID 150260609
4-(1-azidoethyl)pyridine
CID 18441931
N-methyl-1-pyridin-4-ylethanamine;dihydrochloride
CID 42921481
O-(1-pyridin-4-ylethyl)hydroxylamine
CID 102548796
ethane;molecular hydrogen;(1S)-1-pyridin-4-ylethanamine
CID 142237918
2-pyridin-4-yl-2-sulfanylacetic acid
CID 19758802
methane;3-propan-2-ylpyridine;4-propan-2-ylpyridine
CID 177028413
4-[(2S)-pentan-2-yl]pyridine
CID 166675231

Frequently Asked Questions

What is the IUPAC name of (1R)-1-pyridin-4-ylethanethiol?
The IUPAC name of (1R)-1-pyridin-4-ylethanethiol (CID 92977193) is (1R)-1-pyridin-4-ylethanethiol.
What is the SMILES notation for (1R)-1-pyridin-4-ylethanethiol?
The canonical SMILES for (1R)-1-pyridin-4-ylethanethiol is C[C@@H](S)c1ccncc1.
What is the InChIKey of (1R)-1-pyridin-4-ylethanethiol?
The InChIKey is GIPPXXPTVWLFAO-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H9NS/c1-6(9)7-2-4-8-5-3-7/h2-6,9H,1H3/t6-/m1/s1.
What are the key properties of (1R)-1-pyridin-4-ylethanethiol?
(1R)-1-pyridin-4-ylethanethiol has a molecular weight of 139.22 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-pyridin-4-ylethanethiol is sourced from PubChem (CID 92977193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).