4,6-bis(ethylsulfanyl)pyrimidine

C8H12N2S2 — CID 13492148

IUPAC4,6-bis(ethylsulfanyl)pyrimidine
SMILESCCSc1cc(SCC)ncn1
InChIInChI=1S/C8H12N2S2/c1-3-11-7-5-8(12-4-2)10-6-9-7/h5-6H,3-4H2,1-2H3
InChIKeyQUYBGDWXZFSYLF-UHFFFAOYSA-N
MW200.33 g/mol
LogP2.70
Rot. Bonds4

About 4,6-bis(ethylsulfanyl)pyrimidine

4,6-bis(ethylsulfanyl)pyrimidine (PubChem CID 13492148) has the molecular formula C8H12N2S2 and a molecular weight of 200.33 g/mol. Its IUPAC name is 4,6-bis(ethylsulfanyl)pyrimidine.

Molecular Properties

Compound Name4,6-bis(ethylsulfanyl)pyrimidine
PubChem CID13492148
Molecular FormulaC8H12N2S2
Molecular Weight200.33 g/mol
Exact Mass200.04
IUPAC Name4,6-bis(ethylsulfanyl)pyrimidine
SMILESCCSc1cc(SCC)ncn1
InChIInChI=1S/C8H12N2S2/c1-3-11-7-5-8(12-4-2)10-6-9-7/h5-6H,3-4H2,1-2H3
InChIKeyQUYBGDWXZFSYLF-UHFFFAOYSA-N
XLogP2.70
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-bis(ethylsulfanyl)pyrimidine?
The IUPAC name of 4,6-bis(ethylsulfanyl)pyrimidine (CID 13492148) is 4,6-bis(ethylsulfanyl)pyrimidine.
What is the SMILES notation for 4,6-bis(ethylsulfanyl)pyrimidine?
The canonical SMILES for 4,6-bis(ethylsulfanyl)pyrimidine is CCSc1cc(SCC)ncn1.
What is the InChIKey of 4,6-bis(ethylsulfanyl)pyrimidine?
The InChIKey is QUYBGDWXZFSYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S2/c1-3-11-7-5-8(12-4-2)10-6-9-7/h5-6H,3-4H2,1-2H3.
What are the key properties of 4,6-bis(ethylsulfanyl)pyrimidine?
4,6-bis(ethylsulfanyl)pyrimidine has a molecular weight of 200.33 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(ethylsulfanyl)pyrimidine is sourced from PubChem (CID 13492148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).