acetamide;1H-1,3,5-triazine-2,4-dithione

C5H8N4OS2 — CID 158321870

IUPACacetamide;1H-1,3,5-triazine-2,4-dithione
SMILESCC(N)=O.S=c1nc[nH]c(=S)[nH]1
InChIInChI=1S/C3H3N3S2.C2H5NO/c7-2-4-1-5-3(8)6-2;1-2(3)4/h1H,(H2,4,5,6,7,8);1H3,(H2,3,4)
InChIKeyGOYHXTMOBFLPJB-UHFFFAOYSA-N
MW204.28 g/mol
LogP0.69
Rot. Bonds

About acetamide;1H-1,3,5-triazine-2,4-dithione

acetamide;1H-1,3,5-triazine-2,4-dithione (PubChem CID 158321870) has the molecular formula C5H8N4OS2 and a molecular weight of 204.28 g/mol. Its IUPAC name is acetamide;1H-1,3,5-triazine-2,4-dithione.

Molecular Properties

Compound Nameacetamide;1H-1,3,5-triazine-2,4-dithione
PubChem CID158321870
Molecular FormulaC5H8N4OS2
Molecular Weight204.28 g/mol
Exact Mass204.01
IUPAC Nameacetamide;1H-1,3,5-triazine-2,4-dithione
SMILESCC(N)=O.S=c1nc[nH]c(=S)[nH]1
InChIInChI=1S/C3H3N3S2.C2H5NO/c7-2-4-1-5-3(8)6-2;1-2(3)4/h1H,(H2,4,5,6,7,8);1H3,(H2,3,4)
InChIKeyGOYHXTMOBFLPJB-UHFFFAOYSA-N
XLogP0.69
TPSA87.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 acetamide;1H-1,3,5-triazine-2,4-dithione?
The IUPAC name of acetamide;1H-1,3,5-triazine-2,4-dithione (CID 158321870) is acetamide;1H-1,3,5-triazine-2,4-dithione.
What is the SMILES notation for acetamide;1H-1,3,5-triazine-2,4-dithione?
The canonical SMILES for acetamide;1H-1,3,5-triazine-2,4-dithione is CC(N)=O.S=c1nc[nH]c(=S)[nH]1.
What is the InChIKey of acetamide;1H-1,3,5-triazine-2,4-dithione?
The InChIKey is GOYHXTMOBFLPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N3S2.C2H5NO/c7-2-4-1-5-3(8)6-2;1-2(3)4/h1H,(H2,4,5,6,7,8);1H3,(H2,3,4).
What are the key properties of acetamide;1H-1,3,5-triazine-2,4-dithione?
acetamide;1H-1,3,5-triazine-2,4-dithione has a molecular weight of 204.28 g/mol, XLogP of 0.69, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;1H-1,3,5-triazine-2,4-dithione is sourced from PubChem (CID 158321870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).