6-ethylidene-1,3,5-triazinane-2,4-dithione

C5H7N3S2 — CID 118963300

IUPAC6-ethylidene-1,3,5-triazinane-2,4-dithione
SMILESCC=C1NC(=S)NC(=S)N1
InChIInChI=1S/C5H7N3S2/c1-2-3-6-4(9)8-5(10)7-3/h2H,1H3,(H3,6,7,8,9,10)
InChIKeyZOMNPPRWNNMFGG-UHFFFAOYSA-N
MW173.27 g/mol
LogP0.20
Rot. Bonds

About 6-ethylidene-1,3,5-triazinane-2,4-dithione

6-ethylidene-1,3,5-triazinane-2,4-dithione (PubChem CID 118963300) has the molecular formula C5H7N3S2 and a molecular weight of 173.27 g/mol. Its IUPAC name is 6-ethylidene-1,3,5-triazinane-2,4-dithione.

Molecular Properties

Compound Name6-ethylidene-1,3,5-triazinane-2,4-dithione
PubChem CID118963300
Molecular FormulaC5H7N3S2
Molecular Weight173.27 g/mol
Exact Mass173.01
IUPAC Name6-ethylidene-1,3,5-triazinane-2,4-dithione
SMILESCC=C1NC(=S)NC(=S)N1
InChIInChI=1S/C5H7N3S2/c1-2-3-6-4(9)8-5(10)7-3/h2H,1H3,(H3,6,7,8,9,10)
InChIKeyZOMNPPRWNNMFGG-UHFFFAOYSA-N
XLogP0.20
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.27
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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 6-ethylidene-1,3,5-triazinane-2,4-dithione?
The IUPAC name of 6-ethylidene-1,3,5-triazinane-2,4-dithione (CID 118963300) is 6-ethylidene-1,3,5-triazinane-2,4-dithione.
What is the SMILES notation for 6-ethylidene-1,3,5-triazinane-2,4-dithione?
The canonical SMILES for 6-ethylidene-1,3,5-triazinane-2,4-dithione is CC=C1NC(=S)NC(=S)N1.
What is the InChIKey of 6-ethylidene-1,3,5-triazinane-2,4-dithione?
The InChIKey is ZOMNPPRWNNMFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3S2/c1-2-3-6-4(9)8-5(10)7-3/h2H,1H3,(H3,6,7,8,9,10).
What are the key properties of 6-ethylidene-1,3,5-triazinane-2,4-dithione?
6-ethylidene-1,3,5-triazinane-2,4-dithione has a molecular weight of 173.27 g/mol, XLogP of 0.20, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylidene-1,3,5-triazinane-2,4-dithione is sourced from PubChem (CID 118963300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).