5-prop-2-enyl-1,3,5-triazinane-2-thione

C6H11N3S — CID 3481912

IUPAC5-prop-2-enyl-1,3,5-triazinane-2-thione
SMILESC=CCN1CNC(=S)NC1
InChIInChI=1S/C6H11N3S/c1-2-3-9-4-7-6(10)8-5-9/h2H,1,3-5H2,(H2,7,8,10)
InChIKeyWQMKJISFMDDGOX-UHFFFAOYSA-N
MW157.24 g/mol
LogP-0.13
Rot. Bonds2

About 5-prop-2-enyl-1,3,5-triazinane-2-thione

5-prop-2-enyl-1,3,5-triazinane-2-thione (PubChem CID 3481912) has the molecular formula C6H11N3S and a molecular weight of 157.24 g/mol. Its IUPAC name is 5-prop-2-enyl-1,3,5-triazinane-2-thione.

Molecular Properties

Compound Name5-prop-2-enyl-1,3,5-triazinane-2-thione
PubChem CID3481912
Molecular FormulaC6H11N3S
Molecular Weight157.24 g/mol
Exact Mass157.07
IUPAC Name5-prop-2-enyl-1,3,5-triazinane-2-thione
SMILESC=CCN1CNC(=S)NC1
InChIInChI=1S/C6H11N3S/c1-2-3-9-4-7-6(10)8-5-9/h2H,1,3-5H2,(H2,7,8,10)
InChIKeyWQMKJISFMDDGOX-UHFFFAOYSA-N
XLogP-0.13
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-prop-2-enyl-1,3,5-triazinane-2-thione?
The IUPAC name of 5-prop-2-enyl-1,3,5-triazinane-2-thione (CID 3481912) is 5-prop-2-enyl-1,3,5-triazinane-2-thione.
What is the SMILES notation for 5-prop-2-enyl-1,3,5-triazinane-2-thione?
The canonical SMILES for 5-prop-2-enyl-1,3,5-triazinane-2-thione is C=CCN1CNC(=S)NC1.
What is the InChIKey of 5-prop-2-enyl-1,3,5-triazinane-2-thione?
The InChIKey is WQMKJISFMDDGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3S/c1-2-3-9-4-7-6(10)8-5-9/h2H,1,3-5H2,(H2,7,8,10).
What are the key properties of 5-prop-2-enyl-1,3,5-triazinane-2-thione?
5-prop-2-enyl-1,3,5-triazinane-2-thione has a molecular weight of 157.24 g/mol, XLogP of -0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-prop-2-enyl-1,3,5-triazinane-2-thione is sourced from PubChem (CID 3481912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).