1,6-bis(sulfanyl)-1,3,5-triazinane-2,4-dithione

C3H5N3S4 — CID 123213454

IUPAC1,6-bis(sulfanyl)-1,3,5-triazinane-2,4-dithione
SMILESS=C1NC(=S)N(S)C(S)N1
InChIInChI=1S/C3H5N3S4/c7-1-4-2(8)6(10)3(9)5-1/h2,8,10H,(H2,4,5,7,9)
InChIKeyJZCGWZHAWVVKLD-UHFFFAOYSA-N
MW211.36 g/mol
LogP0.11
Rot. Bonds

About 1,6-bis(sulfanyl)-1,3,5-triazinane-2,4-dithione

1,6-bis(sulfanyl)-1,3,5-triazinane-2,4-dithione (PubChem CID 123213454) has the molecular formula C3H5N3S4 and a molecular weight of 211.36 g/mol. Its IUPAC name is 1,6-bis(sulfanyl)-1,3,5-triazinane-2,4-dithione.

Molecular Properties

Compound Name1,6-bis(sulfanyl)-1,3,5-triazinane-2,4-dithione
PubChem CID123213454
Molecular FormulaC3H5N3S4
Molecular Weight211.36 g/mol
Exact Mass210.94
IUPAC Name1,6-bis(sulfanyl)-1,3,5-triazinane-2,4-dithione
SMILESS=C1NC(=S)N(S)C(S)N1
InChIInChI=1S/C3H5N3S4/c7-1-4-2(8)6(10)3(9)5-1/h2,8,10H,(H2,4,5,7,9)
InChIKeyJZCGWZHAWVVKLD-UHFFFAOYSA-N
XLogP0.11
TPSA27.30 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.36
LogP ≤ 50.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1,6-bis(sulfanyl)-1,3,5-triazinane-2,4-dithione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-sulfanylimidazolidine-2-thione
CID 151716523
1-amino-6-dodecyl-1,3,5-triazinane-2,4-dithione
CID 150965399
1-sulfanyl-1,3,5-triazinane-2,4,6-trithione
CID 158536185
5-methyl-1-sulfanylimidazolidine-2,4-dione
CID 141156272
ethane;5-methyl-2-sulfanylideneimidazolidin-4-one
CID 142805949
6-methyl-2-sulfanylidene-1,3-diazinan-4-one
CID 3431792
5-prop-1-enylimidazolidine-2,4-dithione
CID 131861436
5-acetyl-2-sulfanylideneimidazolidin-4-one
CID 87931135
1-methyl-1,2,5,6,7,8-hexahydro-[1,2,4]triazolo[1,2-a]pyridazine-3-thione
CID 71770452
5-cyclopentyl-2-sulfanylideneimidazolidin-4-one
CID 82997961
methyl (4S)-6-methyl-4-naphthalen-2-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 8871427
2-methylpropyl (4R)-4-(6-methoxynaphthalen-2-yl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 8872331

Frequently Asked Questions

What is the IUPAC name of 1,6-bis(sulfanyl)-1,3,5-triazinane-2,4-dithione?
The IUPAC name of 1,6-bis(sulfanyl)-1,3,5-triazinane-2,4-dithione (CID 123213454) is 1,6-bis(sulfanyl)-1,3,5-triazinane-2,4-dithione.
What is the SMILES notation for 1,6-bis(sulfanyl)-1,3,5-triazinane-2,4-dithione?
The canonical SMILES for 1,6-bis(sulfanyl)-1,3,5-triazinane-2,4-dithione is S=C1NC(=S)N(S)C(S)N1.
What is the InChIKey of 1,6-bis(sulfanyl)-1,3,5-triazinane-2,4-dithione?
The InChIKey is JZCGWZHAWVVKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N3S4/c7-1-4-2(8)6(10)3(9)5-1/h2,8,10H,(H2,4,5,7,9).
What are the key properties of 1,6-bis(sulfanyl)-1,3,5-triazinane-2,4-dithione?
1,6-bis(sulfanyl)-1,3,5-triazinane-2,4-dithione has a molecular weight of 211.36 g/mol, XLogP of 0.11, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-bis(sulfanyl)-1,3,5-triazinane-2,4-dithione is sourced from PubChem (CID 123213454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).