2-(1,3,5-triazin-2-yl)propane-2-thiol

C6H9N3S — CID 155095900

IUPAC2-(1,3,5-triazin-2-yl)propane-2-thiol
SMILESCC(C)(S)c1ncncn1
InChIInChI=1S/C6H9N3S/c1-6(2,10)5-8-3-7-4-9-5/h3-4,10H,1-2H3
InChIKeyDNLGMNXYPLIATJ-UHFFFAOYSA-N
MW155.23 g/mol
LogP1.04
Rot. Bonds1

About 2-(1,3,5-triazin-2-yl)propane-2-thiol

2-(1,3,5-triazin-2-yl)propane-2-thiol (PubChem CID 155095900) has the molecular formula C6H9N3S and a molecular weight of 155.23 g/mol. Its IUPAC name is 2-(1,3,5-triazin-2-yl)propane-2-thiol.

Molecular Properties

Compound Name2-(1,3,5-triazin-2-yl)propane-2-thiol
PubChem CID155095900
Molecular FormulaC6H9N3S
Molecular Weight155.23 g/mol
Exact Mass155.05
IUPAC Name2-(1,3,5-triazin-2-yl)propane-2-thiol
SMILESCC(C)(S)c1ncncn1
InChIInChI=1S/C6H9N3S/c1-6(2,10)5-8-3-7-4-9-5/h3-4,10H,1-2H3
InChIKeyDNLGMNXYPLIATJ-UHFFFAOYSA-N
XLogP1.04
TPSA38.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.23
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3,5-triazin-2-yl)propane-2-thiol?
The IUPAC name of 2-(1,3,5-triazin-2-yl)propane-2-thiol (CID 155095900) is 2-(1,3,5-triazin-2-yl)propane-2-thiol.
What is the SMILES notation for 2-(1,3,5-triazin-2-yl)propane-2-thiol?
The canonical SMILES for 2-(1,3,5-triazin-2-yl)propane-2-thiol is CC(C)(S)c1ncncn1.
What is the InChIKey of 2-(1,3,5-triazin-2-yl)propane-2-thiol?
The InChIKey is DNLGMNXYPLIATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3S/c1-6(2,10)5-8-3-7-4-9-5/h3-4,10H,1-2H3.
What are the key properties of 2-(1,3,5-triazin-2-yl)propane-2-thiol?
2-(1,3,5-triazin-2-yl)propane-2-thiol has a molecular weight of 155.23 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3,5-triazin-2-yl)propane-2-thiol is sourced from PubChem (CID 155095900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).