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

C11H19N3S3 — CID 58689498

IUPAC2-ethylsulfanyl-4,6-bis(propan-2-ylsulfanyl)-1,3,5-triazine
SMILESCCSc1nc(SC(C)C)nc(SC(C)C)n1
InChIInChI=1S/C11H19N3S3/c1-6-15-9-12-10(16-7(2)3)14-11(13-9)17-8(4)5/h7-8H,6H2,1-5H3
InChIKeyARHSMGXYQSFNEX-UHFFFAOYSA-N
MW289.50 g/mol
LogP3.98
Rot. Bonds6

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

2-ethylsulfanyl-4,6-bis(propan-2-ylsulfanyl)-1,3,5-triazine (PubChem CID 58689498) has the molecular formula C11H19N3S3 and a molecular weight of 289.50 g/mol. Its IUPAC name is 2-ethylsulfanyl-4,6-bis(propan-2-ylsulfanyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-ethylsulfanyl-4,6-bis(propan-2-ylsulfanyl)-1,3,5-triazine
PubChem CID58689498
Molecular FormulaC11H19N3S3
Molecular Weight289.50 g/mol
Exact Mass289.07
IUPAC Name2-ethylsulfanyl-4,6-bis(propan-2-ylsulfanyl)-1,3,5-triazine
SMILESCCSc1nc(SC(C)C)nc(SC(C)C)n1
InChIInChI=1S/C11H19N3S3/c1-6-15-9-12-10(16-7(2)3)14-11(13-9)17-8(4)5/h7-8H,6H2,1-5H3
InChIKeyARHSMGXYQSFNEX-UHFFFAOYSA-N
XLogP3.98
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.50
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-4,6-bis(propan-2-ylsulfanyl)-1,3,5-triazine?
The IUPAC name of 2-ethylsulfanyl-4,6-bis(propan-2-ylsulfanyl)-1,3,5-triazine (CID 58689498) is 2-ethylsulfanyl-4,6-bis(propan-2-ylsulfanyl)-1,3,5-triazine.
What is the SMILES notation for 2-ethylsulfanyl-4,6-bis(propan-2-ylsulfanyl)-1,3,5-triazine?
The canonical SMILES for 2-ethylsulfanyl-4,6-bis(propan-2-ylsulfanyl)-1,3,5-triazine is CCSc1nc(SC(C)C)nc(SC(C)C)n1.
What is the InChIKey of 2-ethylsulfanyl-4,6-bis(propan-2-ylsulfanyl)-1,3,5-triazine?
The InChIKey is ARHSMGXYQSFNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S3/c1-6-15-9-12-10(16-7(2)3)14-11(13-9)17-8(4)5/h7-8H,6H2,1-5H3.
What are the key properties of 2-ethylsulfanyl-4,6-bis(propan-2-ylsulfanyl)-1,3,5-triazine?
2-ethylsulfanyl-4,6-bis(propan-2-ylsulfanyl)-1,3,5-triazine has a molecular weight of 289.50 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-4,6-bis(propan-2-ylsulfanyl)-1,3,5-triazine is sourced from PubChem (CID 58689498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).