[4,6-bis(methylsulfanyl)-1,3,5-triazin-2-yl]methanol

C6H9N3OS2 — CID 165349341

IUPAC[4,6-bis(methylsulfanyl)-1,3,5-triazin-2-yl]methanol
SMILESCSc1nc(CO)nc(SC)n1
InChIInChI=1S/C6H9N3OS2/c1-11-5-7-4(3-10)8-6(9-5)12-2/h10H,3H2,1-2H3
InChIKeyDXTGNVMNHZNNHJ-UHFFFAOYSA-N
MW203.29 g/mol
LogP0.81
Rot. Bonds3

About [4,6-bis(methylsulfanyl)-1,3,5-triazin-2-yl]methanol

[4,6-bis(methylsulfanyl)-1,3,5-triazin-2-yl]methanol (PubChem CID 165349341) has the molecular formula C6H9N3OS2 and a molecular weight of 203.29 g/mol. Its IUPAC name is [4,6-bis(methylsulfanyl)-1,3,5-triazin-2-yl]methanol.

Molecular Properties

Compound Name[4,6-bis(methylsulfanyl)-1,3,5-triazin-2-yl]methanol
PubChem CID165349341
Molecular FormulaC6H9N3OS2
Molecular Weight203.29 g/mol
Exact Mass203.02
IUPAC Name[4,6-bis(methylsulfanyl)-1,3,5-triazin-2-yl]methanol
SMILESCSc1nc(CO)nc(SC)n1
InChIInChI=1S/C6H9N3OS2/c1-11-5-7-4(3-10)8-6(9-5)12-2/h10H,3H2,1-2H3
InChIKeyDXTGNVMNHZNNHJ-UHFFFAOYSA-N
XLogP0.81
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4,6-bis(methylsulfanyl)-1,3,5-triazin-2-yl]methanol?
The IUPAC name of [4,6-bis(methylsulfanyl)-1,3,5-triazin-2-yl]methanol (CID 165349341) is [4,6-bis(methylsulfanyl)-1,3,5-triazin-2-yl]methanol.
What is the SMILES notation for [4,6-bis(methylsulfanyl)-1,3,5-triazin-2-yl]methanol?
The canonical SMILES for [4,6-bis(methylsulfanyl)-1,3,5-triazin-2-yl]methanol is CSc1nc(CO)nc(SC)n1.
What is the InChIKey of [4,6-bis(methylsulfanyl)-1,3,5-triazin-2-yl]methanol?
The InChIKey is DXTGNVMNHZNNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3OS2/c1-11-5-7-4(3-10)8-6(9-5)12-2/h10H,3H2,1-2H3.
What are the key properties of [4,6-bis(methylsulfanyl)-1,3,5-triazin-2-yl]methanol?
[4,6-bis(methylsulfanyl)-1,3,5-triazin-2-yl]methanol has a molecular weight of 203.29 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4,6-bis(methylsulfanyl)-1,3,5-triazin-2-yl]methanol is sourced from PubChem (CID 165349341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).