4-prop-2-enylsulfanyltriazine

C6H7N3S — CID 67806919

IUPAC4-prop-2-enylsulfanyltriazine
SMILESC=CCSc1ccnnn1
InChIInChI=1S/C6H7N3S/c1-2-5-10-6-3-4-7-9-8-6/h2-4H,1,5H2
InChIKeyUGQQPLSSZSQVSE-UHFFFAOYSA-N
MW153.21 g/mol
LogP1.15
Rot. Bonds3

About 4-prop-2-enylsulfanyltriazine

4-prop-2-enylsulfanyltriazine (PubChem CID 67806919) has the molecular formula C6H7N3S and a molecular weight of 153.21 g/mol. Its IUPAC name is 4-prop-2-enylsulfanyltriazine.

Molecular Properties

Compound Name4-prop-2-enylsulfanyltriazine
PubChem CID67806919
Molecular FormulaC6H7N3S
Molecular Weight153.21 g/mol
Exact Mass153.04
IUPAC Name4-prop-2-enylsulfanyltriazine
SMILESC=CCSc1ccnnn1
InChIInChI=1S/C6H7N3S/c1-2-5-10-6-3-4-7-9-8-6/h2-4H,1,5H2
InChIKeyUGQQPLSSZSQVSE-UHFFFAOYSA-N
XLogP1.15
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.21
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enylsulfanyltriazine?
The IUPAC name of 4-prop-2-enylsulfanyltriazine (CID 67806919) is 4-prop-2-enylsulfanyltriazine.
What is the SMILES notation for 4-prop-2-enylsulfanyltriazine?
The canonical SMILES for 4-prop-2-enylsulfanyltriazine is C=CCSc1ccnnn1.
What is the InChIKey of 4-prop-2-enylsulfanyltriazine?
The InChIKey is UGQQPLSSZSQVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3S/c1-2-5-10-6-3-4-7-9-8-6/h2-4H,1,5H2.
What are the key properties of 4-prop-2-enylsulfanyltriazine?
4-prop-2-enylsulfanyltriazine has a molecular weight of 153.21 g/mol, XLogP of 1.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enylsulfanyltriazine is sourced from PubChem (CID 67806919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).