3-(phenylsulfanylmethyl)pyridine;hydrochloride

C12H12ClNS — CID 71374325

IUPAC3-(phenylsulfanylmethyl)pyridine;hydrochloride
SMILESCl.c1ccc(SCc2cccnc2)cc1
InChIInChI=1S/C12H11NS.ClH/c1-2-6-12(7-3-1)14-10-11-5-4-8-13-9-11;/h1-9H,10H2;1H
InChIKeyFEYOTRQKPPJRLK-UHFFFAOYSA-N
MW237.76 g/mol
LogP3.80
Rot. Bonds3

About 3-(phenylsulfanylmethyl)pyridine;hydrochloride

3-(phenylsulfanylmethyl)pyridine;hydrochloride (PubChem CID 71374325) has the molecular formula C12H12ClNS and a molecular weight of 237.76 g/mol. Its IUPAC name is 3-(phenylsulfanylmethyl)pyridine;hydrochloride.

Molecular Properties

Compound Name3-(phenylsulfanylmethyl)pyridine;hydrochloride
PubChem CID71374325
Molecular FormulaC12H12ClNS
Molecular Weight237.76 g/mol
Exact Mass237.04
IUPAC Name3-(phenylsulfanylmethyl)pyridine;hydrochloride
SMILESCl.c1ccc(SCc2cccnc2)cc1
InChIInChI=1S/C12H11NS.ClH/c1-2-6-12(7-3-1)14-10-11-5-4-8-13-9-11;/h1-9H,10H2;1H
InChIKeyFEYOTRQKPPJRLK-UHFFFAOYSA-N
XLogP3.80
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.76
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(benzylsulfanylmethyl)pyridine
CID 3025143
N-methyl-1-[3-(pyridin-3-ylmethylsulfanyl)phenyl]methanamine
CID 66346653
3-phenyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide
CID 36542434
3-(2-phenylethyl)pyridine;hydrochloride
CID 71669595
3-[[2-[4,5-bis(pyridin-3-ylmethylsulfanyl)-1,3-dithiol-2-ylidene]-5-(pyridin-3-ylmethylsulfanyl)-1,3-dithiol-4-yl]sulfanylmethyl]pyridine
CID 101228131
N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyridine-2-carboxamide
CID 34425101
ethane;ethylbenzene;3-ethylpyridine
CID 145171299
3-(ethylsulfanylmethyl)pyridine
CID 3025109
N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]naphthalene-2-sulfonamide
CID 16579664
3-phenyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]imidazole-4-carboxamide
CID 36542645
2-(pyridin-3-ylmethylsulfanyl)-1H-benzimidazole
CID 3012526
(2R)-2-amino-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide
CID 78973407

Frequently Asked Questions

What is the IUPAC name of 3-(phenylsulfanylmethyl)pyridine;hydrochloride?
The IUPAC name of 3-(phenylsulfanylmethyl)pyridine;hydrochloride (CID 71374325) is 3-(phenylsulfanylmethyl)pyridine;hydrochloride.
What is the SMILES notation for 3-(phenylsulfanylmethyl)pyridine;hydrochloride?
The canonical SMILES for 3-(phenylsulfanylmethyl)pyridine;hydrochloride is Cl.c1ccc(SCc2cccnc2)cc1.
What is the InChIKey of 3-(phenylsulfanylmethyl)pyridine;hydrochloride?
The InChIKey is FEYOTRQKPPJRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NS.ClH/c1-2-6-12(7-3-1)14-10-11-5-4-8-13-9-11;/h1-9H,10H2;1H.
What are the key properties of 3-(phenylsulfanylmethyl)pyridine;hydrochloride?
3-(phenylsulfanylmethyl)pyridine;hydrochloride has a molecular weight of 237.76 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(phenylsulfanylmethyl)pyridine;hydrochloride is sourced from PubChem (CID 71374325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).