5-(2-hydroxypropyl)-1,3,5-triazinane-2-thione

C6H13N3OS — CID 2806803

IUPAC5-(2-hydroxypropyl)-1,3,5-triazinane-2-thione
SMILESCC(O)CN1CNC(=S)NC1
InChIInChI=1S/C6H13N3OS/c1-5(10)2-9-3-7-6(11)8-4-9/h5,10H,2-4H2,1H3,(H2,7,8,11)
InChIKeyULYPWWYAPKRHNU-UHFFFAOYSA-N
MW175.26 g/mol
LogP-0.94
Rot. Bonds2

About 5-(2-hydroxypropyl)-1,3,5-triazinane-2-thione

5-(2-hydroxypropyl)-1,3,5-triazinane-2-thione (PubChem CID 2806803) has the molecular formula C6H13N3OS and a molecular weight of 175.26 g/mol. Its IUPAC name is 5-(2-hydroxypropyl)-1,3,5-triazinane-2-thione.

Molecular Properties

Compound Name5-(2-hydroxypropyl)-1,3,5-triazinane-2-thione
PubChem CID2806803
Molecular FormulaC6H13N3OS
Molecular Weight175.26 g/mol
Exact Mass175.08
IUPAC Name5-(2-hydroxypropyl)-1,3,5-triazinane-2-thione
SMILESCC(O)CN1CNC(=S)NC1
InChIInChI=1S/C6H13N3OS/c1-5(10)2-9-3-7-6(11)8-4-9/h5,10H,2-4H2,1H3,(H2,7,8,11)
InChIKeyULYPWWYAPKRHNU-UHFFFAOYSA-N
XLogP-0.94
TPSA47.53 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.26
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxypropyl)-1,3,5-triazinane-2-thione?
The IUPAC name of 5-(2-hydroxypropyl)-1,3,5-triazinane-2-thione (CID 2806803) is 5-(2-hydroxypropyl)-1,3,5-triazinane-2-thione.
What is the SMILES notation for 5-(2-hydroxypropyl)-1,3,5-triazinane-2-thione?
The canonical SMILES for 5-(2-hydroxypropyl)-1,3,5-triazinane-2-thione is CC(O)CN1CNC(=S)NC1.
What is the InChIKey of 5-(2-hydroxypropyl)-1,3,5-triazinane-2-thione?
The InChIKey is ULYPWWYAPKRHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3OS/c1-5(10)2-9-3-7-6(11)8-4-9/h5,10H,2-4H2,1H3,(H2,7,8,11).
What are the key properties of 5-(2-hydroxypropyl)-1,3,5-triazinane-2-thione?
5-(2-hydroxypropyl)-1,3,5-triazinane-2-thione has a molecular weight of 175.26 g/mol, XLogP of -0.94, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxypropyl)-1,3,5-triazinane-2-thione is sourced from PubChem (CID 2806803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).