5-(2-hydroxyethyl)-1-(hydroxymethyl)-1,3,5-triazinane-2-thione

C6H13N3O2S — CID 3034896

IUPAC5-(2-hydroxyethyl)-1-(hydroxymethyl)-1,3,5-triazinane-2-thione
SMILESOCCN1CNC(=S)N(CO)C1
InChIInChI=1S/C6H13N3O2S/c10-2-1-8-3-7-6(12)9(4-8)5-11/h10-11H,1-5H2,(H,7,12)
InChIKeyCRVHHINBIZCGLC-UHFFFAOYSA-N
MW191.26 g/mol
LogP-1.66
Rot. Bonds3

About 5-(2-hydroxyethyl)-1-(hydroxymethyl)-1,3,5-triazinane-2-thione

5-(2-hydroxyethyl)-1-(hydroxymethyl)-1,3,5-triazinane-2-thione (PubChem CID 3034896) has the molecular formula C6H13N3O2S and a molecular weight of 191.26 g/mol. Its IUPAC name is 5-(2-hydroxyethyl)-1-(hydroxymethyl)-1,3,5-triazinane-2-thione.

Molecular Properties

Compound Name5-(2-hydroxyethyl)-1-(hydroxymethyl)-1,3,5-triazinane-2-thione
PubChem CID3034896
Molecular FormulaC6H13N3O2S
Molecular Weight191.26 g/mol
Exact Mass191.07
IUPAC Name5-(2-hydroxyethyl)-1-(hydroxymethyl)-1,3,5-triazinane-2-thione
SMILESOCCN1CNC(=S)N(CO)C1
InChIInChI=1S/C6H13N3O2S/c10-2-1-8-3-7-6(12)9(4-8)5-11/h10-11H,1-5H2,(H,7,12)
InChIKeyCRVHHINBIZCGLC-UHFFFAOYSA-N
XLogP-1.66
TPSA58.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 5-1.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 5-(2-hydroxyethyl)-1-(hydroxymethyl)-1,3,5-triazinane-2-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethyl)-1-(hydroxymethyl)-1,3,5-triazinane-2-thione?
The IUPAC name of 5-(2-hydroxyethyl)-1-(hydroxymethyl)-1,3,5-triazinane-2-thione (CID 3034896) is 5-(2-hydroxyethyl)-1-(hydroxymethyl)-1,3,5-triazinane-2-thione.
What is the SMILES notation for 5-(2-hydroxyethyl)-1-(hydroxymethyl)-1,3,5-triazinane-2-thione?
The canonical SMILES for 5-(2-hydroxyethyl)-1-(hydroxymethyl)-1,3,5-triazinane-2-thione is OCCN1CNC(=S)N(CO)C1.
What is the InChIKey of 5-(2-hydroxyethyl)-1-(hydroxymethyl)-1,3,5-triazinane-2-thione?
The InChIKey is CRVHHINBIZCGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O2S/c10-2-1-8-3-7-6(12)9(4-8)5-11/h10-11H,1-5H2,(H,7,12).
What are the key properties of 5-(2-hydroxyethyl)-1-(hydroxymethyl)-1,3,5-triazinane-2-thione?
5-(2-hydroxyethyl)-1-(hydroxymethyl)-1,3,5-triazinane-2-thione has a molecular weight of 191.26 g/mol, XLogP of -1.66, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethyl)-1-(hydroxymethyl)-1,3,5-triazinane-2-thione is sourced from PubChem (CID 3034896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).