1,3,5-trithiane-2,4-dithiol

C3H6S5 — CID 22238759

IUPAC1,3,5-trithiane-2,4-dithiol
SMILESSC1SCSC(S)S1
InChIInChI=1S/C3H6S5/c4-2-6-1-7-3(5)8-2/h2-5H,1H2
InChIKeyIOVVMWCNRRXMHG-UHFFFAOYSA-N
MW202.42 g/mol
LogP2.58
Rot. Bonds

About 1,3,5-trithiane-2,4-dithiol

1,3,5-trithiane-2,4-dithiol (PubChem CID 22238759) has the molecular formula C3H6S5 and a molecular weight of 202.42 g/mol. Its IUPAC name is 1,3,5-trithiane-2,4-dithiol.

Molecular Properties

Compound Name1,3,5-trithiane-2,4-dithiol
PubChem CID22238759
Molecular FormulaC3H6S5
Molecular Weight202.42 g/mol
Exact Mass201.91
IUPAC Name1,3,5-trithiane-2,4-dithiol
SMILESSC1SCSC(S)S1
InChIInChI=1S/C3H6S5/c4-2-6-1-7-3(5)8-2/h2-5H,1H2
InChIKeyIOVVMWCNRRXMHG-UHFFFAOYSA-N
XLogP2.58
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.42
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trithiane-2,4-dithiol?
The IUPAC name of 1,3,5-trithiane-2,4-dithiol (CID 22238759) is 1,3,5-trithiane-2,4-dithiol.
What is the SMILES notation for 1,3,5-trithiane-2,4-dithiol?
The canonical SMILES for 1,3,5-trithiane-2,4-dithiol is SC1SCSC(S)S1.
What is the InChIKey of 1,3,5-trithiane-2,4-dithiol?
The InChIKey is IOVVMWCNRRXMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6S5/c4-2-6-1-7-3(5)8-2/h2-5H,1H2.
What are the key properties of 1,3,5-trithiane-2,4-dithiol?
1,3,5-trithiane-2,4-dithiol has a molecular weight of 202.42 g/mol, XLogP of 2.58, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trithiane-2,4-dithiol is sourced from PubChem (CID 22238759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).