2-[1,1-bis(methylsulfanyl)-2-phenylethyl]pyridine

C15H17NS2 — CID 23584919

IUPAC2-[1,1-bis(methylsulfanyl)-2-phenylethyl]pyridine
SMILESCSC(Cc1ccccc1)(SC)c1ccccn1
InChIInChI=1S/C15H17NS2/c1-17-15(18-2,14-10-6-7-11-16-14)12-13-8-4-3-5-9-13/h3-11H,12H2,1-2H3
InChIKeyMLUFHPHQCUJWPV-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.20
Rot. Bonds5

About 2-[1,1-bis(methylsulfanyl)-2-phenylethyl]pyridine

2-[1,1-bis(methylsulfanyl)-2-phenylethyl]pyridine (PubChem CID 23584919) has the molecular formula C15H17NS2 and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-[1,1-bis(methylsulfanyl)-2-phenylethyl]pyridine.

Molecular Properties

Compound Name2-[1,1-bis(methylsulfanyl)-2-phenylethyl]pyridine
PubChem CID23584919
Molecular FormulaC15H17NS2
Molecular Weight275.44 g/mol
Exact Mass275.08
IUPAC Name2-[1,1-bis(methylsulfanyl)-2-phenylethyl]pyridine
SMILESCSC(Cc1ccccc1)(SC)c1ccccn1
InChIInChI=1S/C15H17NS2/c1-17-15(18-2,14-10-6-7-11-16-14)12-13-8-4-3-5-9-13/h3-11H,12H2,1-2H3
InChIKeyMLUFHPHQCUJWPV-UHFFFAOYSA-N
XLogP4.20
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[1,1-bis(methylsulfanyl)but-3-enyl]pyridine
CID 23584107
2-(4-benzylheptan-4-yl)pyridine
CID 122207930
ethylbenzene;pyridin-2-amine
CID 145008383
2-(1,1-difluoropropyl)pyridine
CID 59088790
2-tert-butylpyridine;ethane;methane
CID 143332153
1-pyridin-2-ylpropane-1,1-diol
CID 18373059
2-(1,1-difluoro-2-methylpropyl)pyridine
CID 116841481
(1S)-1-phenyl-1-pyridin-2-ylpropan-1-ol
CID 12522815
2-(1-phenyl-2-pyridin-2-ylpropan-2-yl)-6-[3-(1-phenyl-2-pyridin-2-ylpropan-2-yl)phenyl]pyridine
CID 162495630
(2S)-3-[4-[(2R)-2-cyano-2-phenyl-2-pyridin-2-ylethyl]phenyl]-2-phenyl-2-pyridin-2-ylpropanenitrile
CID 92530275
2-[4-(4-fluorophenyl)-2,3,3-trimethylbutan-2-yl]pyridine
CID 155036452
tert-butylbenzene;2-tert-butylpyridine;4-tert-butylpyridine
CID 159945817

Frequently Asked Questions

What is the IUPAC name of 2-[1,1-bis(methylsulfanyl)-2-phenylethyl]pyridine?
The IUPAC name of 2-[1,1-bis(methylsulfanyl)-2-phenylethyl]pyridine (CID 23584919) is 2-[1,1-bis(methylsulfanyl)-2-phenylethyl]pyridine.
What is the SMILES notation for 2-[1,1-bis(methylsulfanyl)-2-phenylethyl]pyridine?
The canonical SMILES for 2-[1,1-bis(methylsulfanyl)-2-phenylethyl]pyridine is CSC(Cc1ccccc1)(SC)c1ccccn1.
What is the InChIKey of 2-[1,1-bis(methylsulfanyl)-2-phenylethyl]pyridine?
The InChIKey is MLUFHPHQCUJWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NS2/c1-17-15(18-2,14-10-6-7-11-16-14)12-13-8-4-3-5-9-13/h3-11H,12H2,1-2H3.
What are the key properties of 2-[1,1-bis(methylsulfanyl)-2-phenylethyl]pyridine?
2-[1,1-bis(methylsulfanyl)-2-phenylethyl]pyridine has a molecular weight of 275.44 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,1-bis(methylsulfanyl)-2-phenylethyl]pyridine is sourced from PubChem (CID 23584919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).