1,3,5-triazinane-2,4,6-trithione;hydrate

C3H5N3OS3 — CID 89258503

IUPAC1,3,5-triazinane-2,4,6-trithione;hydrate
SMILESO.S=c1[nH]c(=S)[nH]c(=S)[nH]1
InChIInChI=1S/C3H3N3S3.H2O/c7-1-4-2(8)6-3(9)5-1;/h(H3,4,5,6,7,8,9);1H2
InChIKeyMVBRKDXMSCBFBE-UHFFFAOYSA-N
MW195.29 g/mol
LogP1.03
Rot. Bonds

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

1,3,5-triazinane-2,4,6-trithione;hydrate (PubChem CID 89258503) has the molecular formula C3H5N3OS3 and a molecular weight of 195.29 g/mol. Its IUPAC name is 1,3,5-triazinane-2,4,6-trithione;hydrate.

Molecular Properties

Compound Name1,3,5-triazinane-2,4,6-trithione;hydrate
PubChem CID89258503
Molecular FormulaC3H5N3OS3
Molecular Weight195.29 g/mol
Exact Mass194.96
IUPAC Name1,3,5-triazinane-2,4,6-trithione;hydrate
SMILESO.S=c1[nH]c(=S)[nH]c(=S)[nH]1
InChIInChI=1S/C3H3N3S3.H2O/c7-1-4-2(8)6-3(9)5-1;/h(H3,4,5,6,7,8,9);1H2
InChIKeyMVBRKDXMSCBFBE-UHFFFAOYSA-N
XLogP1.03
TPSA78.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 1,3,5-triazinane-2,4,6-trithione;hydrate?
The IUPAC name of 1,3,5-triazinane-2,4,6-trithione;hydrate (CID 89258503) is 1,3,5-triazinane-2,4,6-trithione;hydrate.
What is the SMILES notation for 1,3,5-triazinane-2,4,6-trithione;hydrate?
The canonical SMILES for 1,3,5-triazinane-2,4,6-trithione;hydrate is O.S=c1[nH]c(=S)[nH]c(=S)[nH]1.
What is the InChIKey of 1,3,5-triazinane-2,4,6-trithione;hydrate?
The InChIKey is MVBRKDXMSCBFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N3S3.H2O/c7-1-4-2(8)6-3(9)5-1;/h(H3,4,5,6,7,8,9);1H2.
What are the key properties of 1,3,5-triazinane-2,4,6-trithione;hydrate?
1,3,5-triazinane-2,4,6-trithione;hydrate has a molecular weight of 195.29 g/mol, XLogP of 1.03, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-triazinane-2,4,6-trithione;hydrate is sourced from PubChem (CID 89258503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).