(1R)-1-(4-chloro-3-pyridinyl)ethanethiol

C7H8ClNS — CID 163825883

IUPAC(1R)-1-(4-chloro-3-pyridinyl)ethanethiol
SMILESC[C@@H](S)c1cnccc1Cl
InChIInChI=1S/C7H8ClNS/c1-5(10)6-4-9-3-2-7(6)8/h2-5,10H,1H3/t5-/m1/s1
InChIKeyNZLUJYPUAWKDAS-RXMQYKEDSA-N
MW173.67 g/mol
LogP2.73
Rot. Bonds1

About (1R)-1-(4-chloro-3-pyridinyl)ethanethiol

(1R)-1-(4-chloro-3-pyridinyl)ethanethiol (PubChem CID 163825883) has the molecular formula C7H8ClNS and a molecular weight of 173.67 g/mol. Its IUPAC name is (1R)-1-(4-chloro-3-pyridinyl)ethanethiol.

Molecular Properties

Compound Name(1R)-1-(4-chloro-3-pyridinyl)ethanethiol
PubChem CID163825883
Molecular FormulaC7H8ClNS
Molecular Weight173.67 g/mol
Exact Mass173.01
IUPAC Name(1R)-1-(4-chloro-3-pyridinyl)ethanethiol
SMILESC[C@@H](S)c1cnccc1Cl
InChIInChI=1S/C7H8ClNS/c1-5(10)6-4-9-3-2-7(6)8/h2-5,10H,1H3/t5-/m1/s1
InChIKeyNZLUJYPUAWKDAS-RXMQYKEDSA-N
XLogP2.73
TPSA12.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.67
LogP ≤ 52.73
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

(1S)-1-(4-chloro-3-pyridinyl)ethanamine
CID 96955517
1-(3-fluoro-4-pyridinyl)ethanethiol
CID 89277032
(1R)-1-(4-chloro-3-pyridinyl)-2-methoxyethanamine
CID 55271212
(1R)-1-(4-chloro-3-pyridinyl)-2,2,2-trifluoroethanamine
CID 97296506
(2R)-2-amino-2-(4-chloro-3-pyridinyl)ethanol
CID 130738472
1-(3-chloro-4-pyridinyl)ethanol
CID 67428643
(1S)-1-(3-chloro-4-pyridinyl)ethanol
CID 59186881
(2S)-2-(4-chloro-3-pyridinyl)-2-phenylacetonitrile
CID 124638927
3-amino-3-(4-chloro-3-pyridinyl)propanenitrile
CID 55291758
4-chloro-3-[(1S)-1-[(3S)-pyrrolidin-3-yl]oxyethyl]pyridine
CID 124850468
(1R)-1-pyridin-4-ylethanethiol
CID 92977193
3-chloro-4-propan-2-ylsulfanylpyridine
CID 23436924

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-chloro-3-pyridinyl)ethanethiol?
The IUPAC name of (1R)-1-(4-chloro-3-pyridinyl)ethanethiol (CID 163825883) is (1R)-1-(4-chloro-3-pyridinyl)ethanethiol.
What is the SMILES notation for (1R)-1-(4-chloro-3-pyridinyl)ethanethiol?
The canonical SMILES for (1R)-1-(4-chloro-3-pyridinyl)ethanethiol is C[C@@H](S)c1cnccc1Cl.
What is the InChIKey of (1R)-1-(4-chloro-3-pyridinyl)ethanethiol?
The InChIKey is NZLUJYPUAWKDAS-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H8ClNS/c1-5(10)6-4-9-3-2-7(6)8/h2-5,10H,1H3/t5-/m1/s1.
What are the key properties of (1R)-1-(4-chloro-3-pyridinyl)ethanethiol?
(1R)-1-(4-chloro-3-pyridinyl)ethanethiol has a molecular weight of 173.67 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-chloro-3-pyridinyl)ethanethiol is sourced from PubChem (CID 163825883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).