2,4-bis(methylsulfanyl)pyrimidine

C6H8N2S2 — CID 599004

IUPAC2,4-bis(methylsulfanyl)pyrimidine
SMILESCSc1ccnc(SC)n1
InChIInChI=1S/C6H8N2S2/c1-9-5-3-4-7-6(8-5)10-2/h3-4H,1-2H3
InChIKeyKXUITROLMFEFNV-UHFFFAOYSA-N
MW172.28 g/mol
LogP1.92
Rot. Bonds2

About 2,4-bis(methylsulfanyl)pyrimidine

2,4-bis(methylsulfanyl)pyrimidine (PubChem CID 599004) has the molecular formula C6H8N2S2 and a molecular weight of 172.28 g/mol. Its IUPAC name is 2,4-bis(methylsulfanyl)pyrimidine.

Molecular Properties

Compound Name2,4-bis(methylsulfanyl)pyrimidine
PubChem CID599004
Molecular FormulaC6H8N2S2
Molecular Weight172.28 g/mol
Exact Mass172.01
IUPAC Name2,4-bis(methylsulfanyl)pyrimidine
SMILESCSc1ccnc(SC)n1
InChIInChI=1S/C6H8N2S2/c1-9-5-3-4-7-6(8-5)10-2/h3-4H,1-2H3
InChIKeyKXUITROLMFEFNV-UHFFFAOYSA-N
XLogP1.92
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.28
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(methylsulfanyl)pyrimidine?
The IUPAC name of 2,4-bis(methylsulfanyl)pyrimidine (CID 599004) is 2,4-bis(methylsulfanyl)pyrimidine.
What is the SMILES notation for 2,4-bis(methylsulfanyl)pyrimidine?
The canonical SMILES for 2,4-bis(methylsulfanyl)pyrimidine is CSc1ccnc(SC)n1.
What is the InChIKey of 2,4-bis(methylsulfanyl)pyrimidine?
The InChIKey is KXUITROLMFEFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2S2/c1-9-5-3-4-7-6(8-5)10-2/h3-4H,1-2H3.
What are the key properties of 2,4-bis(methylsulfanyl)pyrimidine?
2,4-bis(methylsulfanyl)pyrimidine has a molecular weight of 172.28 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(methylsulfanyl)pyrimidine is sourced from PubChem (CID 599004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).