6-ethoxy-1H-1,3,5-triazine-2,4-dithione

C5H7N3OS2 — CID 15681572

IUPAC6-ethoxy-1H-1,3,5-triazine-2,4-dithione
SMILESCCOc1nc(=S)[nH]c(=S)[nH]1
InChIInChI=1S/C5H7N3OS2/c1-2-9-3-6-4(10)8-5(11)7-3/h2H2,1H3,(H2,6,7,8,10,11)
InChIKeyWLCLTZMBTZGWRA-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.60
Rot. Bonds2

About 6-ethoxy-1H-1,3,5-triazine-2,4-dithione

6-ethoxy-1H-1,3,5-triazine-2,4-dithione (PubChem CID 15681572) has the molecular formula C5H7N3OS2 and a molecular weight of 189.26 g/mol. Its IUPAC name is 6-ethoxy-1H-1,3,5-triazine-2,4-dithione.

Molecular Properties

Compound Name6-ethoxy-1H-1,3,5-triazine-2,4-dithione
PubChem CID15681572
Molecular FormulaC5H7N3OS2
Molecular Weight189.26 g/mol
Exact Mass189.00
IUPAC Name6-ethoxy-1H-1,3,5-triazine-2,4-dithione
SMILESCCOc1nc(=S)[nH]c(=S)[nH]1
InChIInChI=1S/C5H7N3OS2/c1-2-9-3-6-4(10)8-5(11)7-3/h2H2,1H3,(H2,6,7,8,10,11)
InChIKeyWLCLTZMBTZGWRA-UHFFFAOYSA-N
XLogP1.60
TPSA53.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-decoxy-1H-1,3,5-triazine-2,4-dithione
CID 147145649
6-(2-sulfanylbutoxy)-1H-1,3,5-triazine-2,4-dithione
CID 175074952
4-ethoxy-6-(trifluoromethyl)-1H-pyrimidine-2-thione
CID 130116519
6-butyl-1H-1,3,5-triazine-2,4-dithione
CID 15644801
CID 161241564
CID 161241564
[2-ethoxy-4-(hydroxymethyl)-1H-imidazol-5-yl]methanol
CID 141279134
6-(cyclopentylamino)-1H-1,3,5-triazine-2,4-dithione
CID 54184838
6-(2-hydroxypropyl)-1H-1,3,5-triazine-2,4-dithione
CID 175020205
6-(heptylamino)-1H-1,3,5-triazine-2,4-dithione
CID 170716414
4-chloro-2-ethoxy-1H-benzimidazole
CID 69014735
5-amino-2-ethoxy-1H-pyrimidine-6-thione
CID 119098426
6-(dibutylamino)-1H-1,3,5-triazine-2,4-dithione
CID 3035346

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-1H-1,3,5-triazine-2,4-dithione?
The IUPAC name of 6-ethoxy-1H-1,3,5-triazine-2,4-dithione (CID 15681572) is 6-ethoxy-1H-1,3,5-triazine-2,4-dithione.
What is the SMILES notation for 6-ethoxy-1H-1,3,5-triazine-2,4-dithione?
The canonical SMILES for 6-ethoxy-1H-1,3,5-triazine-2,4-dithione is CCOc1nc(=S)[nH]c(=S)[nH]1.
What is the InChIKey of 6-ethoxy-1H-1,3,5-triazine-2,4-dithione?
The InChIKey is WLCLTZMBTZGWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3OS2/c1-2-9-3-6-4(10)8-5(11)7-3/h2H2,1H3,(H2,6,7,8,10,11).
What are the key properties of 6-ethoxy-1H-1,3,5-triazine-2,4-dithione?
6-ethoxy-1H-1,3,5-triazine-2,4-dithione has a molecular weight of 189.26 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-1H-1,3,5-triazine-2,4-dithione is sourced from PubChem (CID 15681572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).