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

C11H19N3S3 — CID 58689493

IUPAC2,4-bis(ethylsulfanyl)-6-(2-methylpropylsulfanyl)-1,3,5-triazine
SMILESCCSc1nc(SCC)nc(SCC(C)C)n1
InChIInChI=1S/C11H19N3S3/c1-5-15-9-12-10(16-6-2)14-11(13-9)17-7-8(3)4/h8H,5-7H2,1-4H3
InChIKeyKHIPVIWKHMMAQF-UHFFFAOYSA-N
MW289.50 g/mol
LogP3.84
Rot. Bonds7

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

2,4-bis(ethylsulfanyl)-6-(2-methylpropylsulfanyl)-1,3,5-triazine (PubChem CID 58689493) has the molecular formula C11H19N3S3 and a molecular weight of 289.50 g/mol. Its IUPAC name is 2,4-bis(ethylsulfanyl)-6-(2-methylpropylsulfanyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(ethylsulfanyl)-6-(2-methylpropylsulfanyl)-1,3,5-triazine
PubChem CID58689493
Molecular FormulaC11H19N3S3
Molecular Weight289.50 g/mol
Exact Mass289.07
IUPAC Name2,4-bis(ethylsulfanyl)-6-(2-methylpropylsulfanyl)-1,3,5-triazine
SMILESCCSc1nc(SCC)nc(SCC(C)C)n1
InChIInChI=1S/C11H19N3S3/c1-5-15-9-12-10(16-6-2)14-11(13-9)17-7-8(3)4/h8H,5-7H2,1-4H3
InChIKeyKHIPVIWKHMMAQF-UHFFFAOYSA-N
XLogP3.84
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.50
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2,4,6-Tris(butylsulfanyl)-1,3,5-triazine
CID 305795
2,4,6-Tris(octylthio)-1,3,5-triazine
CID 119026114
4,6-Bis(butylsulfanyl)-1,3,5-triazin-2-amine
CID 35170
2,4,6-Tris(ethylsulfanyl)-1,3,5-triazine
CID 35565
2-N,2-N,4-N,6-tetrakis(propylsulfanyl)-1,3,5-triazine-2,4-diamine
CID 20453733
2,4,6-Tris(2-methylsulfanylethylsulfanyl)-1,3,5-triazine
CID 58689487
2,4,6-Tris(3-methylbutan-2-ylsulfanyl)-1,3,5-triazine
CID 58689489
2,4,6-Tris(tert-butylsulfanyl)-1,3,5-triazine
CID 58689490
2,4,6-Tris(propylsulfanyl)-1,3,5-triazine
CID 58689492
1-[[4,6-Bis(tert-butylsulfanyl)-1,3,5-triazin-2-yl]sulfanyl]propan-2-one
CID 58689495
2,4,6-Tris(propan-2-ylsulfanyl)-1,3,5-triazine
CID 58689496
2-Ethylsulfanyl-4,6-bis(propan-2-ylsulfanyl)-1,3,5-triazine
CID 58689498

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(ethylsulfanyl)-6-(2-methylpropylsulfanyl)-1,3,5-triazine?
The IUPAC name of 2,4-bis(ethylsulfanyl)-6-(2-methylpropylsulfanyl)-1,3,5-triazine (CID 58689493) is 2,4-bis(ethylsulfanyl)-6-(2-methylpropylsulfanyl)-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(ethylsulfanyl)-6-(2-methylpropylsulfanyl)-1,3,5-triazine?
The canonical SMILES for 2,4-bis(ethylsulfanyl)-6-(2-methylpropylsulfanyl)-1,3,5-triazine is CCSc1nc(SCC)nc(SCC(C)C)n1.
What is the InChIKey of 2,4-bis(ethylsulfanyl)-6-(2-methylpropylsulfanyl)-1,3,5-triazine?
The InChIKey is KHIPVIWKHMMAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S3/c1-5-15-9-12-10(16-6-2)14-11(13-9)17-7-8(3)4/h8H,5-7H2,1-4H3.
What are the key properties of 2,4-bis(ethylsulfanyl)-6-(2-methylpropylsulfanyl)-1,3,5-triazine?
2,4-bis(ethylsulfanyl)-6-(2-methylpropylsulfanyl)-1,3,5-triazine has a molecular weight of 289.50 g/mol, XLogP of 3.84, 7 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-(2-methylpropylsulfanyl)-1,3,5-triazine is sourced from PubChem (CID 58689493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).