2-[1-(disulfanyl)ethyl]pyridine;dihydrochloride

C7H11Cl2NS2 — CID 20980722

IUPAC2-[1-(disulfanyl)ethyl]pyridine;dihydrochloride
SMILESCC(SS)c1ccccn1.Cl.Cl
InChIInChI=1S/C7H9NS2.2ClH/c1-6(10-9)7-4-2-3-5-8-7;;/h2-6,9H,1H3;2*1H
InChIKeyDBZRFDCMFQUCGN-UHFFFAOYSA-N
MW244.21 g/mol
LogP3.56
Rot. Bonds2

About 2-[1-(disulfanyl)ethyl]pyridine;dihydrochloride

2-[1-(disulfanyl)ethyl]pyridine;dihydrochloride (PubChem CID 20980722) has the molecular formula C7H11Cl2NS2 and a molecular weight of 244.21 g/mol. Its IUPAC name is 2-[1-(disulfanyl)ethyl]pyridine;dihydrochloride.

Molecular Properties

Compound Name2-[1-(disulfanyl)ethyl]pyridine;dihydrochloride
PubChem CID20980722
Molecular FormulaC7H11Cl2NS2
Molecular Weight244.21 g/mol
Exact Mass242.97
IUPAC Name2-[1-(disulfanyl)ethyl]pyridine;dihydrochloride
SMILESCC(SS)c1ccccn1.Cl.Cl
InChIInChI=1S/C7H9NS2.2ClH/c1-6(10-9)7-4-2-3-5-8-7;;/h2-6,9H,1H3;2*1H
InChIKeyDBZRFDCMFQUCGN-UHFFFAOYSA-N
XLogP3.56
TPSA12.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.21
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(1R)-1-[(1R)-1-pyridin-2-ylethyl]sulfanylethyl]pyridine
CID 15893453
2-(1-phenylsulfanylethyl)pyridine
CID 10242398
(1S)-1-pyridin-2-ylethanol;hydrochloride
CID 71757448
2-[(2R)-3-methylbutan-2-yl]pyridine
CID 26793118
ethane;2-methylpropane;2-propan-2-ylpyridine
CID 160963174
(1R)-2-methyl-1-pyridin-2-ylpropan-1-amine;dihydrochloride
CID 86767543
3-(1-pyridin-2-ylethylsulfanyl)propan-1-amine
CID 71320210
1-pyridin-2-yl-N,N-bis(1-pyridin-2-ylethyl)ethanamine
CID 15806675
2-(dipyridin-2-ylmethyl)pyridine
CID 10332212
2-(dichloromethyl)pyridine;hydrochloride
CID 18385076
(1S,2S)-1-pyridin-2-ylpropane-1,2-diol
CID 28766943
(1R,2S)-1-pyridin-2-ylpropane-1,2-diamine
CID 131142947

Frequently Asked Questions

What is the IUPAC name of 2-[1-(disulfanyl)ethyl]pyridine;dihydrochloride?
The IUPAC name of 2-[1-(disulfanyl)ethyl]pyridine;dihydrochloride (CID 20980722) is 2-[1-(disulfanyl)ethyl]pyridine;dihydrochloride.
What is the SMILES notation for 2-[1-(disulfanyl)ethyl]pyridine;dihydrochloride?
The canonical SMILES for 2-[1-(disulfanyl)ethyl]pyridine;dihydrochloride is CC(SS)c1ccccn1.Cl.Cl.
What is the InChIKey of 2-[1-(disulfanyl)ethyl]pyridine;dihydrochloride?
The InChIKey is DBZRFDCMFQUCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NS2.2ClH/c1-6(10-9)7-4-2-3-5-8-7;;/h2-6,9H,1H3;2*1H.
What are the key properties of 2-[1-(disulfanyl)ethyl]pyridine;dihydrochloride?
2-[1-(disulfanyl)ethyl]pyridine;dihydrochloride has a molecular weight of 244.21 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(disulfanyl)ethyl]pyridine;dihydrochloride is sourced from PubChem (CID 20980722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).