5-chloro-2,4,6-tris(ethenylsulfanyl)pyrimidine

C10H9ClN2S3 — CID 22338668

IUPAC5-chloro-2,4,6-tris(ethenylsulfanyl)pyrimidine
SMILESC=CSc1nc(SC=C)c(Cl)c(SC=C)n1
InChIInChI=1S/C10H9ClN2S3/c1-4-14-8-7(11)9(15-5-2)13-10(12-8)16-6-3/h4-6H,1-3H2
InChIKeyWRDHGQVETZHTCB-UHFFFAOYSA-N
MW288.85 g/mol
LogP4.84
Rot. Bonds6

About 5-chloro-2,4,6-tris(ethenylsulfanyl)pyrimidine

5-chloro-2,4,6-tris(ethenylsulfanyl)pyrimidine (PubChem CID 22338668) has the molecular formula C10H9ClN2S3 and a molecular weight of 288.85 g/mol. Its IUPAC name is 5-chloro-2,4,6-tris(ethenylsulfanyl)pyrimidine.

Molecular Properties

Compound Name5-chloro-2,4,6-tris(ethenylsulfanyl)pyrimidine
PubChem CID22338668
Molecular FormulaC10H9ClN2S3
Molecular Weight288.85 g/mol
Exact Mass287.96
IUPAC Name5-chloro-2,4,6-tris(ethenylsulfanyl)pyrimidine
SMILESC=CSc1nc(SC=C)c(Cl)c(SC=C)n1
InChIInChI=1S/C10H9ClN2S3/c1-4-14-8-7(11)9(15-5-2)13-10(12-8)16-6-3/h4-6H,1-3H2
InChIKeyWRDHGQVETZHTCB-UHFFFAOYSA-N
XLogP4.84
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.85
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,4,6-tris(ethenylsulfanyl)pyrimidine?
The IUPAC name of 5-chloro-2,4,6-tris(ethenylsulfanyl)pyrimidine (CID 22338668) is 5-chloro-2,4,6-tris(ethenylsulfanyl)pyrimidine.
What is the SMILES notation for 5-chloro-2,4,6-tris(ethenylsulfanyl)pyrimidine?
The canonical SMILES for 5-chloro-2,4,6-tris(ethenylsulfanyl)pyrimidine is C=CSc1nc(SC=C)c(Cl)c(SC=C)n1.
What is the InChIKey of 5-chloro-2,4,6-tris(ethenylsulfanyl)pyrimidine?
The InChIKey is WRDHGQVETZHTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2S3/c1-4-14-8-7(11)9(15-5-2)13-10(12-8)16-6-3/h4-6H,1-3H2.
What are the key properties of 5-chloro-2,4,6-tris(ethenylsulfanyl)pyrimidine?
5-chloro-2,4,6-tris(ethenylsulfanyl)pyrimidine has a molecular weight of 288.85 g/mol, XLogP of 4.84, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,4,6-tris(ethenylsulfanyl)pyrimidine is sourced from PubChem (CID 22338668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).