2,6-bis(methylsulfanyl)-4-thiophen-2-ylpyridine

C11H11NS3 — CID 14202028

IUPAC2,6-bis(methylsulfanyl)-4-thiophen-2-ylpyridine
SMILESCSc1cc(-c2cccs2)cc(SC)n1
InChIInChI=1S/C11H11NS3/c1-13-10-6-8(7-11(12-10)14-2)9-4-3-5-15-9/h3-7H,1-2H3
InChIKeyXHPVGKADPRDTRG-UHFFFAOYSA-N
MW253.42 g/mol
LogP4.25
Rot. Bonds3

About 2,6-bis(methylsulfanyl)-4-thiophen-2-ylpyridine

2,6-bis(methylsulfanyl)-4-thiophen-2-ylpyridine (PubChem CID 14202028) has the molecular formula C11H11NS3 and a molecular weight of 253.42 g/mol. Its IUPAC name is 2,6-bis(methylsulfanyl)-4-thiophen-2-ylpyridine.

Molecular Properties

Compound Name2,6-bis(methylsulfanyl)-4-thiophen-2-ylpyridine
PubChem CID14202028
Molecular FormulaC11H11NS3
Molecular Weight253.42 g/mol
Exact Mass253.01
IUPAC Name2,6-bis(methylsulfanyl)-4-thiophen-2-ylpyridine
SMILESCSc1cc(-c2cccs2)cc(SC)n1
InChIInChI=1S/C11H11NS3/c1-13-10-6-8(7-11(12-10)14-2)9-4-3-5-15-9/h3-7H,1-2H3
InChIKeyXHPVGKADPRDTRG-UHFFFAOYSA-N
XLogP4.25
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.42
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(3,5-dithiophen-2-ylphenyl)-5-thiophen-2-ylphenyl]thiophene
CID 25194793
6-methylsulfanyl-2-thiophen-2-ylpyrimidine-4-carboxylic acid
CID 116862441
4-methyl-2-methylsulfanyl-6-thiophen-2-ylpyrimidine
CID 10889503
2-(7-thiophen-2-ylnaphthalen-2-yl)thiophene
CID 824515
2-(3,5-dibromophenyl)thiophene
CID 19006176
6-chloro-4-thiophen-2-ylpyridin-2-amine
CID 96614062
3-methylsulfanyl-2,5-dithiophen-2-ylthiophene
CID 15273180
2-(3-fluoro-5-propan-2-ylphenyl)thiophene
CID 167222834
4-methyl-2-thiophen-2-ylpyrimidine
CID 21025894
2-methyl-5-thiophen-2-ylpyrimidine
CID 54054310
2-(3-fluorophenyl)thiophene
CID 22486407
2-methylsulfanyl-6-thiophen-2-ylpyridine-3-carboxylic acid
CID 82119497

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(methylsulfanyl)-4-thiophen-2-ylpyridine?
The IUPAC name of 2,6-bis(methylsulfanyl)-4-thiophen-2-ylpyridine (CID 14202028) is 2,6-bis(methylsulfanyl)-4-thiophen-2-ylpyridine.
What is the SMILES notation for 2,6-bis(methylsulfanyl)-4-thiophen-2-ylpyridine?
The canonical SMILES for 2,6-bis(methylsulfanyl)-4-thiophen-2-ylpyridine is CSc1cc(-c2cccs2)cc(SC)n1.
What is the InChIKey of 2,6-bis(methylsulfanyl)-4-thiophen-2-ylpyridine?
The InChIKey is XHPVGKADPRDTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NS3/c1-13-10-6-8(7-11(12-10)14-2)9-4-3-5-15-9/h3-7H,1-2H3.
What are the key properties of 2,6-bis(methylsulfanyl)-4-thiophen-2-ylpyridine?
2,6-bis(methylsulfanyl)-4-thiophen-2-ylpyridine has a molecular weight of 253.42 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(methylsulfanyl)-4-thiophen-2-ylpyridine is sourced from PubChem (CID 14202028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).