azane;ethanol;1,3,5-triazinane-2,4,6-trithione

C9H24N4O3S3 — CID 66922950

IUPACazane;ethanol;1,3,5-triazinane-2,4,6-trithione
SMILESCCO.CCO.CCO.N.S=c1[nH]c(=S)[nH]c(=S)[nH]1
InChIInChI=1S/C3H3N3S3.3C2H6O.H3N/c7-1-4-2(8)6-3(9)5-1;3*1-2-3;/h(H3,4,5,6,7,8,9);3*3H,2H2,1H3;1H3
InChIKeySFWSJYOKVHHSIU-UHFFFAOYSA-N
MW332.52 g/mol
LogP2.02
Rot. Bonds

About azane;ethanol;1,3,5-triazinane-2,4,6-trithione

azane;ethanol;1,3,5-triazinane-2,4,6-trithione (PubChem CID 66922950) has the molecular formula C9H24N4O3S3 and a molecular weight of 332.52 g/mol. Its IUPAC name is azane;ethanol;1,3,5-triazinane-2,4,6-trithione.

Molecular Properties

Compound Nameazane;ethanol;1,3,5-triazinane-2,4,6-trithione
PubChem CID66922950
Molecular FormulaC9H24N4O3S3
Molecular Weight332.52 g/mol
Exact Mass332.10
IUPAC Nameazane;ethanol;1,3,5-triazinane-2,4,6-trithione
SMILESCCO.CCO.CCO.N.S=c1[nH]c(=S)[nH]c(=S)[nH]1
InChIInChI=1S/C3H3N3S3.3C2H6O.H3N/c7-1-4-2(8)6-3(9)5-1;3*1-2-3;/h(H3,4,5,6,7,8,9);3*3H,2H2,1H3;1H3
InChIKeySFWSJYOKVHHSIU-UHFFFAOYSA-N
XLogP2.02
TPSA143.06 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.52
LogP ≤ 52.02
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

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 azane;ethanol;1,3,5-triazinane-2,4,6-trithione?
The IUPAC name of azane;ethanol;1,3,5-triazinane-2,4,6-trithione (CID 66922950) is azane;ethanol;1,3,5-triazinane-2,4,6-trithione.
What is the SMILES notation for azane;ethanol;1,3,5-triazinane-2,4,6-trithione?
The canonical SMILES for azane;ethanol;1,3,5-triazinane-2,4,6-trithione is CCO.CCO.CCO.N.S=c1[nH]c(=S)[nH]c(=S)[nH]1.
What is the InChIKey of azane;ethanol;1,3,5-triazinane-2,4,6-trithione?
The InChIKey is SFWSJYOKVHHSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N3S3.3C2H6O.H3N/c7-1-4-2(8)6-3(9)5-1;3*1-2-3;/h(H3,4,5,6,7,8,9);3*3H,2H2,1H3;1H3.
What are the key properties of azane;ethanol;1,3,5-triazinane-2,4,6-trithione?
azane;ethanol;1,3,5-triazinane-2,4,6-trithione has a molecular weight of 332.52 g/mol, XLogP of 2.02, 0 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for azane;ethanol;1,3,5-triazinane-2,4,6-trithione is sourced from PubChem (CID 66922950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).