1-sulfanyl-1,3,5-triazinane-2,4,6-trithione

C3H3N3S4 — CID 158536185

IUPAC1-sulfanyl-1,3,5-triazinane-2,4,6-trithione
SMILESS=c1[nH]c(=S)n(S)c(=S)[nH]1
InChIInChI=1S/C3H3N3S4/c7-1-4-2(8)6(10)3(9)5-1/h10H,(H2,4,5,7,8,9)
InChIKeyHNYWJIMRNLGSPG-UHFFFAOYSA-N
MW209.35 g/mol
LogP2.03
Rot. Bonds

About 1-sulfanyl-1,3,5-triazinane-2,4,6-trithione

1-sulfanyl-1,3,5-triazinane-2,4,6-trithione (PubChem CID 158536185) has the molecular formula C3H3N3S4 and a molecular weight of 209.35 g/mol. Its IUPAC name is 1-sulfanyl-1,3,5-triazinane-2,4,6-trithione.

Molecular Properties

Compound Name1-sulfanyl-1,3,5-triazinane-2,4,6-trithione
PubChem CID158536185
Molecular FormulaC3H3N3S4
Molecular Weight209.35 g/mol
Exact Mass208.92
IUPAC Name1-sulfanyl-1,3,5-triazinane-2,4,6-trithione
SMILESS=c1[nH]c(=S)n(S)c(=S)[nH]1
InChIInChI=1S/C3H3N3S4/c7-1-4-2(8)6(10)3(9)5-1/h10H,(H2,4,5,7,8,9)
InChIKeyHNYWJIMRNLGSPG-UHFFFAOYSA-N
XLogP2.03
TPSA36.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.35
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-sulfanyl-1,3,5-triazinane-2,4,6-trithione?
The IUPAC name of 1-sulfanyl-1,3,5-triazinane-2,4,6-trithione (CID 158536185) is 1-sulfanyl-1,3,5-triazinane-2,4,6-trithione.
What is the SMILES notation for 1-sulfanyl-1,3,5-triazinane-2,4,6-trithione?
The canonical SMILES for 1-sulfanyl-1,3,5-triazinane-2,4,6-trithione is S=c1[nH]c(=S)n(S)c(=S)[nH]1.
What is the InChIKey of 1-sulfanyl-1,3,5-triazinane-2,4,6-trithione?
The InChIKey is HNYWJIMRNLGSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N3S4/c7-1-4-2(8)6(10)3(9)5-1/h10H,(H2,4,5,7,8,9).
What are the key properties of 1-sulfanyl-1,3,5-triazinane-2,4,6-trithione?
1-sulfanyl-1,3,5-triazinane-2,4,6-trithione has a molecular weight of 209.35 g/mol, XLogP of 2.03, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-sulfanyl-1,3,5-triazinane-2,4,6-trithione is sourced from PubChem (CID 158536185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).