2-benzylsulfanyl-5-chloropyridine

C12H10ClNS — CID 22054776

IUPAC2-benzylsulfanyl-5-chloropyridine
SMILESClc1ccc(SCc2ccccc2)nc1
InChIInChI=1S/C12H10ClNS/c13-11-6-7-12(14-8-11)15-9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyXFCRKJZILQVXJT-UHFFFAOYSA-N
MW235.74 g/mol
LogP4.03
Rot. Bonds3

About 2-benzylsulfanyl-5-chloropyridine

2-benzylsulfanyl-5-chloropyridine (PubChem CID 22054776) has the molecular formula C12H10ClNS and a molecular weight of 235.74 g/mol. Its IUPAC name is 2-benzylsulfanyl-5-chloropyridine.

Molecular Properties

Compound Name2-benzylsulfanyl-5-chloropyridine
PubChem CID22054776
Molecular FormulaC12H10ClNS
Molecular Weight235.74 g/mol
Exact Mass235.02
IUPAC Name2-benzylsulfanyl-5-chloropyridine
SMILESClc1ccc(SCc2ccccc2)nc1
InChIInChI=1S/C12H10ClNS/c13-11-6-7-12(14-8-11)15-9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyXFCRKJZILQVXJT-UHFFFAOYSA-N
XLogP4.03
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.74
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Benzylsulfanyl-1-oxidopyridin-1-ium
CID 501066
2-Phenylthiopyridine
CID 817760
4-(4-Chlorophenyl)-2-pyridin-4-yl-1,3-thiazole
CID 2806768
Pyridine, 4-(2-(4-chlorophenylsulfonyl)ethyl)-, hydrochloride
CID 3050824
Pyridine, 2-(4-trifluoromethylbenzylthio)-
CID 556666
4-(2-(Phenylthio)ethyl)pyridine
CID 88779
4-(2-(Benzylthio)ethyl)pyridine
CID 210230
2-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}pyridine
CID 5713317
2-[(1-Phenylethyl)sulfanyl]pyridine 1-oxide
CID 4071098
2-Chloro-5-phenylpyridine
CID 2762868
4-(4-Chlorostyryl)pyridine
CID 735607
3-Chloro-4-(2-pyridylthiomethyl)benzenecarbonitrile
CID 726070

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-5-chloropyridine?
The IUPAC name of 2-benzylsulfanyl-5-chloropyridine (CID 22054776) is 2-benzylsulfanyl-5-chloropyridine.
What is the SMILES notation for 2-benzylsulfanyl-5-chloropyridine?
The canonical SMILES for 2-benzylsulfanyl-5-chloropyridine is Clc1ccc(SCc2ccccc2)nc1.
What is the InChIKey of 2-benzylsulfanyl-5-chloropyridine?
The InChIKey is XFCRKJZILQVXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNS/c13-11-6-7-12(14-8-11)15-9-10-4-2-1-3-5-10/h1-8H,9H2.
What are the key properties of 2-benzylsulfanyl-5-chloropyridine?
2-benzylsulfanyl-5-chloropyridine has a molecular weight of 235.74 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-5-chloropyridine is sourced from PubChem (CID 22054776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).