2-methylsulfanyl-4,6-dithiophen-2-ylpyrimidine

C13H10N2S3 — CID 15658303

IUPAC2-methylsulfanyl-4,6-dithiophen-2-ylpyrimidine
SMILESCSc1nc(-c2cccs2)cc(-c2cccs2)n1
InChIInChI=1S/C13H10N2S3/c1-16-13-14-9(11-4-2-6-17-11)8-10(15-13)12-5-3-7-18-12/h2-8H,1H3
InChIKeyIAIRHLWYPXOWNL-UHFFFAOYSA-N
MW290.44 g/mol
LogP4.66
Rot. Bonds3

About 2-methylsulfanyl-4,6-dithiophen-2-ylpyrimidine

2-methylsulfanyl-4,6-dithiophen-2-ylpyrimidine (PubChem CID 15658303) has the molecular formula C13H10N2S3 and a molecular weight of 290.44 g/mol. Its IUPAC name is 2-methylsulfanyl-4,6-dithiophen-2-ylpyrimidine.

Molecular Properties

Compound Name2-methylsulfanyl-4,6-dithiophen-2-ylpyrimidine
PubChem CID15658303
Molecular FormulaC13H10N2S3
Molecular Weight290.44 g/mol
Exact Mass290.00
IUPAC Name2-methylsulfanyl-4,6-dithiophen-2-ylpyrimidine
SMILESCSc1nc(-c2cccs2)cc(-c2cccs2)n1
InChIInChI=1S/C13H10N2S3/c1-16-13-14-9(11-4-2-6-17-11)8-10(15-13)12-5-3-7-18-12/h2-8H,1H3
InChIKeyIAIRHLWYPXOWNL-UHFFFAOYSA-N
XLogP4.66
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-4,6-dithiophen-2-ylpyrimidine?
The IUPAC name of 2-methylsulfanyl-4,6-dithiophen-2-ylpyrimidine (CID 15658303) is 2-methylsulfanyl-4,6-dithiophen-2-ylpyrimidine.
What is the SMILES notation for 2-methylsulfanyl-4,6-dithiophen-2-ylpyrimidine?
The canonical SMILES for 2-methylsulfanyl-4,6-dithiophen-2-ylpyrimidine is CSc1nc(-c2cccs2)cc(-c2cccs2)n1.
What is the InChIKey of 2-methylsulfanyl-4,6-dithiophen-2-ylpyrimidine?
The InChIKey is IAIRHLWYPXOWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2S3/c1-16-13-14-9(11-4-2-6-17-11)8-10(15-13)12-5-3-7-18-12/h2-8H,1H3.
What are the key properties of 2-methylsulfanyl-4,6-dithiophen-2-ylpyrimidine?
2-methylsulfanyl-4,6-dithiophen-2-ylpyrimidine has a molecular weight of 290.44 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-4,6-dithiophen-2-ylpyrimidine is sourced from PubChem (CID 15658303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).