6-(prop-2-enylamino)-1H-1,3,5-triazine-2,4-dithione

C6H8N4S2 — CID 23373599

IUPAC6-(prop-2-enylamino)-1H-1,3,5-triazine-2,4-dithione
SMILESC=CCNc1nc(=S)[nH]c(=S)[nH]1
InChIInChI=1S/C6H8N4S2/c1-2-3-7-4-8-5(11)10-6(12)9-4/h2H,1,3H2,(H3,7,8,9,10,11,12)
InChIKeySIDSBOJOQUVUGW-UHFFFAOYSA-N
MW200.29 g/mol
LogP1.79
Rot. Bonds3

About 6-(prop-2-enylamino)-1H-1,3,5-triazine-2,4-dithione

6-(prop-2-enylamino)-1H-1,3,5-triazine-2,4-dithione (PubChem CID 23373599) has the molecular formula C6H8N4S2 and a molecular weight of 200.29 g/mol. Its IUPAC name is 6-(prop-2-enylamino)-1H-1,3,5-triazine-2,4-dithione.

Molecular Properties

Compound Name6-(prop-2-enylamino)-1H-1,3,5-triazine-2,4-dithione
PubChem CID23373599
Molecular FormulaC6H8N4S2
Molecular Weight200.29 g/mol
Exact Mass200.02
IUPAC Name6-(prop-2-enylamino)-1H-1,3,5-triazine-2,4-dithione
SMILESC=CCNc1nc(=S)[nH]c(=S)[nH]1
InChIInChI=1S/C6H8N4S2/c1-2-3-7-4-8-5(11)10-6(12)9-4/h2H,1,3H2,(H3,7,8,9,10,11,12)
InChIKeySIDSBOJOQUVUGW-UHFFFAOYSA-N
XLogP1.79
TPSA56.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 6-(prop-2-enylamino)-1H-1,3,5-triazine-2,4-dithione?
The IUPAC name of 6-(prop-2-enylamino)-1H-1,3,5-triazine-2,4-dithione (CID 23373599) is 6-(prop-2-enylamino)-1H-1,3,5-triazine-2,4-dithione.
What is the SMILES notation for 6-(prop-2-enylamino)-1H-1,3,5-triazine-2,4-dithione?
The canonical SMILES for 6-(prop-2-enylamino)-1H-1,3,5-triazine-2,4-dithione is C=CCNc1nc(=S)[nH]c(=S)[nH]1.
What is the InChIKey of 6-(prop-2-enylamino)-1H-1,3,5-triazine-2,4-dithione?
The InChIKey is SIDSBOJOQUVUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4S2/c1-2-3-7-4-8-5(11)10-6(12)9-4/h2H,1,3H2,(H3,7,8,9,10,11,12).
What are the key properties of 6-(prop-2-enylamino)-1H-1,3,5-triazine-2,4-dithione?
6-(prop-2-enylamino)-1H-1,3,5-triazine-2,4-dithione has a molecular weight of 200.29 g/mol, XLogP of 1.79, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(prop-2-enylamino)-1H-1,3,5-triazine-2,4-dithione is sourced from PubChem (CID 23373599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).