2,4-bis(ethylsulfanyl)-6-methylsulfanyl-1,3,5-triazine

C8H13N3S3 — CID 129281792

IUPAC2,4-bis(ethylsulfanyl)-6-methylsulfanyl-1,3,5-triazine
SMILESCCSc1nc(SC)nc(SCC)n1
InChIInChI=1S/C8H13N3S3/c1-4-13-7-9-6(12-3)10-8(11-7)14-5-2/h4-5H2,1-3H3
InChIKeyRYOCUISZRAPCPD-UHFFFAOYSA-N
MW247.41 g/mol
LogP2.82
Rot. Bonds5

About 2,4-bis(ethylsulfanyl)-6-methylsulfanyl-1,3,5-triazine

2,4-bis(ethylsulfanyl)-6-methylsulfanyl-1,3,5-triazine (PubChem CID 129281792) has the molecular formula C8H13N3S3 and a molecular weight of 247.41 g/mol. Its IUPAC name is 2,4-bis(ethylsulfanyl)-6-methylsulfanyl-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(ethylsulfanyl)-6-methylsulfanyl-1,3,5-triazine
PubChem CID129281792
Molecular FormulaC8H13N3S3
Molecular Weight247.41 g/mol
Exact Mass247.03
IUPAC Name2,4-bis(ethylsulfanyl)-6-methylsulfanyl-1,3,5-triazine
SMILESCCSc1nc(SC)nc(SCC)n1
InChIInChI=1S/C8H13N3S3/c1-4-13-7-9-6(12-3)10-8(11-7)14-5-2/h4-5H2,1-3H3
InChIKeyRYOCUISZRAPCPD-UHFFFAOYSA-N
XLogP2.82
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.41
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(ethylsulfanyl)-6-methylsulfanyl-1,3,5-triazine?
The IUPAC name of 2,4-bis(ethylsulfanyl)-6-methylsulfanyl-1,3,5-triazine (CID 129281792) is 2,4-bis(ethylsulfanyl)-6-methylsulfanyl-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(ethylsulfanyl)-6-methylsulfanyl-1,3,5-triazine?
The canonical SMILES for 2,4-bis(ethylsulfanyl)-6-methylsulfanyl-1,3,5-triazine is CCSc1nc(SC)nc(SCC)n1.
What is the InChIKey of 2,4-bis(ethylsulfanyl)-6-methylsulfanyl-1,3,5-triazine?
The InChIKey is RYOCUISZRAPCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S3/c1-4-13-7-9-6(12-3)10-8(11-7)14-5-2/h4-5H2,1-3H3.
What are the key properties of 2,4-bis(ethylsulfanyl)-6-methylsulfanyl-1,3,5-triazine?
2,4-bis(ethylsulfanyl)-6-methylsulfanyl-1,3,5-triazine has a molecular weight of 247.41 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(ethylsulfanyl)-6-methylsulfanyl-1,3,5-triazine is sourced from PubChem (CID 129281792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).