3-chloro-2-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)pyridine

C14H12ClNS2 — CID 79327324

IUPAC3-chloro-2-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)pyridine
SMILESClc1cccnc1SCC1Cc2ccccc2S1
InChIInChI=1S/C14H12ClNS2/c15-12-5-3-7-16-14(12)17-9-11-8-10-4-1-2-6-13(10)18-11/h1-7,11H,8-9H2
InChIKeyDZDKJELFOSRZKR-UHFFFAOYSA-N
MW293.84 g/mol
LogP4.54
Rot. Bonds3

About 3-chloro-2-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)pyridine

3-chloro-2-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)pyridine (PubChem CID 79327324) has the molecular formula C14H12ClNS2 and a molecular weight of 293.84 g/mol. Its IUPAC name is 3-chloro-2-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)pyridine.

Molecular Properties

Compound Name3-chloro-2-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)pyridine
PubChem CID79327324
Molecular FormulaC14H12ClNS2
Molecular Weight293.84 g/mol
Exact Mass293.01
IUPAC Name3-chloro-2-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)pyridine
SMILESClc1cccnc1SCC1Cc2ccccc2S1
InChIInChI=1S/C14H12ClNS2/c15-12-5-3-7-16-14(12)17-9-11-8-10-4-1-2-6-13(10)18-11/h1-7,11H,8-9H2
InChIKeyDZDKJELFOSRZKR-UHFFFAOYSA-N
XLogP4.54
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)pyrimidine
CID 79326097
5-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)-1-methyl-1,2,4-triazole
CID 104603619
3-chloro-2-(oxetan-3-ylmethylsulfanyl)pyridine
CID 131182823
2-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)-5-(trifluoromethyl)pyridine
CID 79322428
2-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)-4-methyl-1,3-thiazole
CID 79325640
3-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)-4-methyl-1,2,4-triazole
CID 79325980
2-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)-4-methyl-1,3-oxazole
CID 106924341
2-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-2,3-dihydro-1-benzothiophene
CID 79322659
2-(2-methylpropylsulfanylmethyl)-2,3-dihydro-1-benzothiophene
CID 79326208
2-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)-6-methylaniline
CID 79222595
2-ethyl-2,3-dihydro-1-benzothiophene
CID 13010667
3-chloro-2-(2-chloroethylsulfanyl)pyridine
CID 43446290

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)pyridine?
The IUPAC name of 3-chloro-2-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)pyridine (CID 79327324) is 3-chloro-2-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)pyridine.
What is the SMILES notation for 3-chloro-2-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)pyridine?
The canonical SMILES for 3-chloro-2-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)pyridine is Clc1cccnc1SCC1Cc2ccccc2S1.
What is the InChIKey of 3-chloro-2-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)pyridine?
The InChIKey is DZDKJELFOSRZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNS2/c15-12-5-3-7-16-14(12)17-9-11-8-10-4-1-2-6-13(10)18-11/h1-7,11H,8-9H2.
What are the key properties of 3-chloro-2-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)pyridine?
3-chloro-2-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)pyridine has a molecular weight of 293.84 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)pyridine is sourced from PubChem (CID 79327324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).