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

C6H14N3OS+ — CID 7020507

IUPAC2-(6-methylsulfanyl-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-3-yl)ethanol
SMILESCSC1=NC[NH+](CCO)CN1
InChIInChI=1S/C6H13N3OS/c1-11-6-7-4-9(2-3-10)5-8-6/h10H,2-5H2,1H3,(H,7,8)/p+1
InChIKeyIGIJRDWGRYBOFJ-UHFFFAOYSA-O
MW176.26 g/mol
LogP-1.90
Rot. Bonds2

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

2-(6-methylsulfanyl-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-3-yl)ethanol (PubChem CID 7020507) has the molecular formula C6H14N3OS+ and a molecular weight of 176.26 g/mol. Its IUPAC name is 2-(6-methylsulfanyl-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-3-yl)ethanol.

Molecular Properties

Compound Name2-(6-methylsulfanyl-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-3-yl)ethanol
PubChem CID7020507
Molecular FormulaC6H14N3OS+
Molecular Weight176.26 g/mol
Exact Mass176.09
IUPAC Name2-(6-methylsulfanyl-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-3-yl)ethanol
SMILESCSC1=NC[NH+](CCO)CN1
InChIInChI=1S/C6H13N3OS/c1-11-6-7-4-9(2-3-10)5-8-6/h10H,2-5H2,1H3,(H,7,8)/p+1
InChIKeyIGIJRDWGRYBOFJ-UHFFFAOYSA-O
XLogP-1.90
TPSA49.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 5-1.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methylsulfanyl-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-3-yl)ethanol?
The IUPAC name of 2-(6-methylsulfanyl-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-3-yl)ethanol (CID 7020507) is 2-(6-methylsulfanyl-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-3-yl)ethanol.
What is the SMILES notation for 2-(6-methylsulfanyl-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-3-yl)ethanol?
The canonical SMILES for 2-(6-methylsulfanyl-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-3-yl)ethanol is CSC1=NC[NH+](CCO)CN1.
What is the InChIKey of 2-(6-methylsulfanyl-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-3-yl)ethanol?
The InChIKey is IGIJRDWGRYBOFJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H13N3OS/c1-11-6-7-4-9(2-3-10)5-8-6/h10H,2-5H2,1H3,(H,7,8)/p+1.
What are the key properties of 2-(6-methylsulfanyl-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-3-yl)ethanol?
2-(6-methylsulfanyl-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-3-yl)ethanol has a molecular weight of 176.26 g/mol, XLogP of -1.90, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylsulfanyl-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-3-yl)ethanol is sourced from PubChem (CID 7020507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).