2-[6-(2-sulfanylethyl)-3-pyridinyl]ethanethiol

C9H13NS2 — CID 87203141

IUPAC2-[6-(2-sulfanylethyl)-3-pyridinyl]ethanethiol
SMILESSCCc1ccc(CCS)nc1
InChIInChI=1S/C9H13NS2/c11-5-3-8-1-2-9(4-6-12)10-7-8/h1-2,7,11-12H,3-6H2
InChIKeyWMMQHKLFPPTUOB-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.03
Rot. Bonds4

About 2-[6-(2-sulfanylethyl)-3-pyridinyl]ethanethiol

2-[6-(2-sulfanylethyl)-3-pyridinyl]ethanethiol (PubChem CID 87203141) has the molecular formula C9H13NS2 and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-[6-(2-sulfanylethyl)-3-pyridinyl]ethanethiol.

Molecular Properties

Compound Name2-[6-(2-sulfanylethyl)-3-pyridinyl]ethanethiol
PubChem CID87203141
Molecular FormulaC9H13NS2
Molecular Weight199.34 g/mol
Exact Mass199.05
IUPAC Name2-[6-(2-sulfanylethyl)-3-pyridinyl]ethanethiol
SMILESSCCc1ccc(CCS)nc1
InChIInChI=1S/C9H13NS2/c11-5-3-8-1-2-9(4-6-12)10-7-8/h1-2,7,11-12H,3-6H2
InChIKeyWMMQHKLFPPTUOB-UHFFFAOYSA-N
XLogP2.03
TPSA12.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-5-propylpyridine
CID 23544341
2-methyl-5-[2-[5-[2-(4-methylphenyl)ethyl]-2-pyridinyl]ethyl]pyrimidine
CID 166649577
2-(5-ethyl-2-pyridinyl)ethanamine;hydrochloride
CID 76847658
N-methyl-1-(6-propyl-3-pyridinyl)methanamine
CID 142021922
4-(5-ethyl-2-pyridinyl)butan-1-ol
CID 79737697
[6-(3,3,3-trifluoropropyl)-3-pyridinyl]methanamine;hydrochloride
CID 67508680
2-(6-benzyl-3-pyridinyl)ethanamine
CID 117001758
imino-methyl-oxo-[2-(6-propyl-3-pyridinyl)ethyl]-λ6-sulfane
CID 167284363
N-[(6-propyl-3-pyridinyl)methyl]methanesulfonamide
CID 57090435
(2S)-4-[6-(3-aminopropyl)-3-pyridinyl]butan-2-amine
CID 11816593
5-[2-(4-ethoxyphenyl)ethyl]-2-pentylpyridine
CID 54545830
1-(5-ethyl-2-pyridinyl)heptan-4-one
CID 79738865

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-sulfanylethyl)-3-pyridinyl]ethanethiol?
The IUPAC name of 2-[6-(2-sulfanylethyl)-3-pyridinyl]ethanethiol (CID 87203141) is 2-[6-(2-sulfanylethyl)-3-pyridinyl]ethanethiol.
What is the SMILES notation for 2-[6-(2-sulfanylethyl)-3-pyridinyl]ethanethiol?
The canonical SMILES for 2-[6-(2-sulfanylethyl)-3-pyridinyl]ethanethiol is SCCc1ccc(CCS)nc1.
What is the InChIKey of 2-[6-(2-sulfanylethyl)-3-pyridinyl]ethanethiol?
The InChIKey is WMMQHKLFPPTUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NS2/c11-5-3-8-1-2-9(4-6-12)10-7-8/h1-2,7,11-12H,3-6H2.
What are the key properties of 2-[6-(2-sulfanylethyl)-3-pyridinyl]ethanethiol?
2-[6-(2-sulfanylethyl)-3-pyridinyl]ethanethiol has a molecular weight of 199.34 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-sulfanylethyl)-3-pyridinyl]ethanethiol is sourced from PubChem (CID 87203141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).