6-[(4-chlorophenyl)methylsulfanyl]-2,3,4,5-tetrahydropyridine

C12H14ClNS — CID 158206655

IUPAC6-[(4-chlorophenyl)methylsulfanyl]-2,3,4,5-tetrahydropyridine
SMILESClc1ccc(CSC2=NCCCC2)cc1
InChIInChI=1S/C12H14ClNS/c13-11-6-4-10(5-7-11)9-15-12-3-1-2-8-14-12/h4-7H,1-3,8-9H2
InChIKeyGBOQUGALKDOGIE-UHFFFAOYSA-N
MW239.77 g/mol
LogP4.16
Rot. Bonds2

About 6-[(4-chlorophenyl)methylsulfanyl]-2,3,4,5-tetrahydropyridine

6-[(4-chlorophenyl)methylsulfanyl]-2,3,4,5-tetrahydropyridine (PubChem CID 158206655) has the molecular formula C12H14ClNS and a molecular weight of 239.77 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)methylsulfanyl]-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name6-[(4-chlorophenyl)methylsulfanyl]-2,3,4,5-tetrahydropyridine
PubChem CID158206655
Molecular FormulaC12H14ClNS
Molecular Weight239.77 g/mol
Exact Mass239.05
IUPAC Name6-[(4-chlorophenyl)methylsulfanyl]-2,3,4,5-tetrahydropyridine
SMILESClc1ccc(CSC2=NCCCC2)cc1
InChIInChI=1S/C12H14ClNS/c13-11-6-4-10(5-7-11)9-15-12-3-1-2-8-14-12/h4-7H,1-3,8-9H2
InChIKeyGBOQUGALKDOGIE-UHFFFAOYSA-N
XLogP4.16
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.77
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-Chlorophenyl)-4,5-dihydrothiazole
CID 202677
Thiazole, 4,5-dihydro-2-(2-chlorophenyl)-
CID 206352
[4-(4-Chlorophenyl)-1,3-dithiol-2-ylidene]-diethylazanium
CID 3092493
6H-1,3,5-Oxathiazine, 4-(4-chlorophenyl)-
CID 204086
Thiazole, 4,5-dihydro-2-(3-chlorophenyl)-
CID 206353
N-(2-(Ethylthio)ethyl)-p-chlorobenzylidenimine
CID 52323
Thiazole, 4,5-dihydro-2-(2-(4-chlorophenyl)ethenyl)-4,4-dimethyl-
CID 6445972
Thiazolium, 4,5-dihydro-2-(4-chlorophenyl)-3-methyl-, iodide
CID 13425515
2-[(4-Chlorophenyl)methyl]-4,5-dihydrothiazole
CID 460640
2-[4-(4-Chlorophenyl)-4,5-dihydro-1,3-thiazol-2-yl]acetonitrile
CID 69950014
2-[(Z)-2-(4-chlorophenyl)vinyl]-4,5-dihydrothiazole
CID 6474282
2-[(Z)-2-(2,4-dichlorophenyl)vinyl]-4,5-dihydrothiazole
CID 6474283

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)methylsulfanyl]-2,3,4,5-tetrahydropyridine?
The IUPAC name of 6-[(4-chlorophenyl)methylsulfanyl]-2,3,4,5-tetrahydropyridine (CID 158206655) is 6-[(4-chlorophenyl)methylsulfanyl]-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for 6-[(4-chlorophenyl)methylsulfanyl]-2,3,4,5-tetrahydropyridine?
The canonical SMILES for 6-[(4-chlorophenyl)methylsulfanyl]-2,3,4,5-tetrahydropyridine is Clc1ccc(CSC2=NCCCC2)cc1.
What is the InChIKey of 6-[(4-chlorophenyl)methylsulfanyl]-2,3,4,5-tetrahydropyridine?
The InChIKey is GBOQUGALKDOGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNS/c13-11-6-4-10(5-7-11)9-15-12-3-1-2-8-14-12/h4-7H,1-3,8-9H2.
What are the key properties of 6-[(4-chlorophenyl)methylsulfanyl]-2,3,4,5-tetrahydropyridine?
6-[(4-chlorophenyl)methylsulfanyl]-2,3,4,5-tetrahydropyridine has a molecular weight of 239.77 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)methylsulfanyl]-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 158206655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).