4-chloro-2,6-bis(methylsulfanyl)pyrimidine

C6H7ClN2S2 — CID 25105360

IUPAC4-chloro-2,6-bis(methylsulfanyl)pyrimidine
SMILESCSc1cc(Cl)nc(SC)n1
InChIInChI=1S/C6H7ClN2S2/c1-10-5-3-4(7)8-6(9-5)11-2/h3H,1-2H3
InChIKeyRQMRUYLUNFRFJJ-UHFFFAOYSA-N
MW206.72 g/mol
LogP2.57
Rot. Bonds2

About 4-chloro-2,6-bis(methylsulfanyl)pyrimidine

4-chloro-2,6-bis(methylsulfanyl)pyrimidine (PubChem CID 25105360) has the molecular formula C6H7ClN2S2 and a molecular weight of 206.72 g/mol. Its IUPAC name is 4-chloro-2,6-bis(methylsulfanyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2,6-bis(methylsulfanyl)pyrimidine
PubChem CID25105360
Molecular FormulaC6H7ClN2S2
Molecular Weight206.72 g/mol
Exact Mass205.97
IUPAC Name4-chloro-2,6-bis(methylsulfanyl)pyrimidine
SMILESCSc1cc(Cl)nc(SC)n1
InChIInChI=1S/C6H7ClN2S2/c1-10-5-3-4(7)8-6(9-5)11-2/h3H,1-2H3
InChIKeyRQMRUYLUNFRFJJ-UHFFFAOYSA-N
XLogP2.57
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.72
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,6-bis(methylsulfanyl)pyrimidine?
The IUPAC name of 4-chloro-2,6-bis(methylsulfanyl)pyrimidine (CID 25105360) is 4-chloro-2,6-bis(methylsulfanyl)pyrimidine.
What is the SMILES notation for 4-chloro-2,6-bis(methylsulfanyl)pyrimidine?
The canonical SMILES for 4-chloro-2,6-bis(methylsulfanyl)pyrimidine is CSc1cc(Cl)nc(SC)n1.
What is the InChIKey of 4-chloro-2,6-bis(methylsulfanyl)pyrimidine?
The InChIKey is RQMRUYLUNFRFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2S2/c1-10-5-3-4(7)8-6(9-5)11-2/h3H,1-2H3.
What are the key properties of 4-chloro-2,6-bis(methylsulfanyl)pyrimidine?
4-chloro-2,6-bis(methylsulfanyl)pyrimidine has a molecular weight of 206.72 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,6-bis(methylsulfanyl)pyrimidine is sourced from PubChem (CID 25105360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).