2-(6-ethylsulfanyl-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-3-yl)ethanol

C7H16N3OS+ — CID 2046778

IUPAC2-(6-ethylsulfanyl-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-3-yl)ethanol
SMILESCCSC1=NC[NH+](CCO)CN1
InChIInChI=1S/C7H15N3OS/c1-2-12-7-8-5-10(3-4-11)6-9-7/h11H,2-6H2,1H3,(H,8,9)/p+1
InChIKeyJXHMKHJWPCIYLX-UHFFFAOYSA-O
MW190.29 g/mol
LogP-1.51
Rot. Bonds3

About 2-(6-ethylsulfanyl-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-3-yl)ethanol

2-(6-ethylsulfanyl-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-3-yl)ethanol (PubChem CID 2046778) has the molecular formula C7H16N3OS+ and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-(6-ethylsulfanyl-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-3-yl)ethanol.

Molecular Properties

Compound Name2-(6-ethylsulfanyl-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-3-yl)ethanol
PubChem CID2046778
Molecular FormulaC7H16N3OS+
Molecular Weight190.29 g/mol
Exact Mass190.10
IUPAC Name2-(6-ethylsulfanyl-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-3-yl)ethanol
SMILESCCSC1=NC[NH+](CCO)CN1
InChIInChI=1S/C7H15N3OS/c1-2-12-7-8-5-10(3-4-11)6-9-7/h11H,2-6H2,1H3,(H,8,9)/p+1
InChIKeyJXHMKHJWPCIYLX-UHFFFAOYSA-O
XLogP-1.51
TPSA49.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 5-1.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-ethylsulfanyl-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-3-yl)ethanol?
The IUPAC name of 2-(6-ethylsulfanyl-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-3-yl)ethanol (CID 2046778) is 2-(6-ethylsulfanyl-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-3-yl)ethanol.
What is the SMILES notation for 2-(6-ethylsulfanyl-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-3-yl)ethanol?
The canonical SMILES for 2-(6-ethylsulfanyl-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-3-yl)ethanol is CCSC1=NC[NH+](CCO)CN1.
What is the InChIKey of 2-(6-ethylsulfanyl-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-3-yl)ethanol?
The InChIKey is JXHMKHJWPCIYLX-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H15N3OS/c1-2-12-7-8-5-10(3-4-11)6-9-7/h11H,2-6H2,1H3,(H,8,9)/p+1.
What are the key properties of 2-(6-ethylsulfanyl-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-3-yl)ethanol?
2-(6-ethylsulfanyl-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-3-yl)ethanol has a molecular weight of 190.29 g/mol, XLogP of -1.51, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethylsulfanyl-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-3-yl)ethanol is sourced from PubChem (CID 2046778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).