sodium;3-(4-chlorophenyl)-6-methylsulfanyl-1H-1,3,5-triazine-2,4-dione;hydride

C10H9ClN3NaO2S — CID 173460928

IUPACsodium;3-(4-chlorophenyl)-6-methylsulfanyl-1H-1,3,5-triazine-2,4-dione;hydride
SMILESCSc1nc(=O)n(-c2ccc(Cl)cc2)c(=O)[nH]1.[H-].[Na+]
InChIInChI=1S/C10H8ClN3O2S.Na.H/c1-17-8-12-9(15)14(10(16)13-8)7-4-2-6(11)3-5-7;;/h2-5H,1H3,(H,12,13,15,16);;/q;+1;-1
InChIKeyVQTGZSDEJODGCY-UHFFFAOYSA-N
MW293.71 g/mol
LogP-1.59
Rot. Bonds2

About sodium;3-(4-chlorophenyl)-6-methylsulfanyl-1H-1,3,5-triazine-2,4-dione;hydride

sodium;3-(4-chlorophenyl)-6-methylsulfanyl-1H-1,3,5-triazine-2,4-dione;hydride (PubChem CID 173460928) has the molecular formula C10H9ClN3NaO2S and a molecular weight of 293.71 g/mol. Its IUPAC name is sodium;3-(4-chlorophenyl)-6-methylsulfanyl-1H-1,3,5-triazine-2,4-dione;hydride.

Molecular Properties

Compound Namesodium;3-(4-chlorophenyl)-6-methylsulfanyl-1H-1,3,5-triazine-2,4-dione;hydride
PubChem CID173460928
Molecular FormulaC10H9ClN3NaO2S
Molecular Weight293.71 g/mol
Exact Mass293.00
IUPAC Namesodium;3-(4-chlorophenyl)-6-methylsulfanyl-1H-1,3,5-triazine-2,4-dione;hydride
SMILESCSc1nc(=O)n(-c2ccc(Cl)cc2)c(=O)[nH]1.[H-].[Na+]
InChIInChI=1S/C10H8ClN3O2S.Na.H/c1-17-8-12-9(15)14(10(16)13-8)7-4-2-6(11)3-5-7;;/h2-5H,1H3,(H,12,13,15,16);;/q;+1;-1
InChIKeyVQTGZSDEJODGCY-UHFFFAOYSA-N
XLogP-1.59
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.71
LogP ≤ 5-1.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of sodium;3-(4-chlorophenyl)-6-methylsulfanyl-1H-1,3,5-triazine-2,4-dione;hydride?
The IUPAC name of sodium;3-(4-chlorophenyl)-6-methylsulfanyl-1H-1,3,5-triazine-2,4-dione;hydride (CID 173460928) is sodium;3-(4-chlorophenyl)-6-methylsulfanyl-1H-1,3,5-triazine-2,4-dione;hydride.
What is the SMILES notation for sodium;3-(4-chlorophenyl)-6-methylsulfanyl-1H-1,3,5-triazine-2,4-dione;hydride?
The canonical SMILES for sodium;3-(4-chlorophenyl)-6-methylsulfanyl-1H-1,3,5-triazine-2,4-dione;hydride is CSc1nc(=O)n(-c2ccc(Cl)cc2)c(=O)[nH]1.[H-].[Na+].
What is the InChIKey of sodium;3-(4-chlorophenyl)-6-methylsulfanyl-1H-1,3,5-triazine-2,4-dione;hydride?
The InChIKey is VQTGZSDEJODGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O2S.Na.H/c1-17-8-12-9(15)14(10(16)13-8)7-4-2-6(11)3-5-7;;/h2-5H,1H3,(H,12,13,15,16);;/q;+1;-1.
What are the key properties of sodium;3-(4-chlorophenyl)-6-methylsulfanyl-1H-1,3,5-triazine-2,4-dione;hydride?
sodium;3-(4-chlorophenyl)-6-methylsulfanyl-1H-1,3,5-triazine-2,4-dione;hydride has a molecular weight of 293.71 g/mol, XLogP of -1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;3-(4-chlorophenyl)-6-methylsulfanyl-1H-1,3,5-triazine-2,4-dione;hydride is sourced from PubChem (CID 173460928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).