[6-(sulfanylmethylsulfanyl)-4H-1,3-dithiin-4-yl]sulfanylmethanethiol

C6H10S6 — CID 172702110

IUPAC[6-(sulfanylmethylsulfanyl)-4H-1,3-dithiin-4-yl]sulfanylmethanethiol
SMILESSCSC1=CC(SCS)SCS1
InChIInChI=1S/C6H10S6/c7-2-9-5-1-6(10-3-8)12-4-11-5/h1,5,7-8H,2-4H2
InChIKeyDCFPDIYNPXLEGL-UHFFFAOYSA-N
MW274.55 g/mol
LogP3.83
Rot. Bonds4

About [6-(sulfanylmethylsulfanyl)-4H-1,3-dithiin-4-yl]sulfanylmethanethiol

[6-(sulfanylmethylsulfanyl)-4H-1,3-dithiin-4-yl]sulfanylmethanethiol (PubChem CID 172702110) has the molecular formula C6H10S6 and a molecular weight of 274.55 g/mol. Its IUPAC name is [6-(sulfanylmethylsulfanyl)-4H-1,3-dithiin-4-yl]sulfanylmethanethiol.

Molecular Properties

Compound Name[6-(sulfanylmethylsulfanyl)-4H-1,3-dithiin-4-yl]sulfanylmethanethiol
PubChem CID172702110
Molecular FormulaC6H10S6
Molecular Weight274.55 g/mol
Exact Mass273.91
IUPAC Name[6-(sulfanylmethylsulfanyl)-4H-1,3-dithiin-4-yl]sulfanylmethanethiol
SMILESSCSC1=CC(SCS)SCS1
InChIInChI=1S/C6H10S6/c7-2-9-5-1-6(10-3-8)12-4-11-5/h1,5,7-8H,2-4H2
InChIKeyDCFPDIYNPXLEGL-UHFFFAOYSA-N
XLogP3.83
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.55
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze [6-(sulfanylmethylsulfanyl)-4H-1,3-dithiin-4-yl]sulfanylmethanethiol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [6-(sulfanylmethylsulfanyl)-4H-1,3-dithiin-4-yl]sulfanylmethanethiol?
The IUPAC name of [6-(sulfanylmethylsulfanyl)-4H-1,3-dithiin-4-yl]sulfanylmethanethiol (CID 172702110) is [6-(sulfanylmethylsulfanyl)-4H-1,3-dithiin-4-yl]sulfanylmethanethiol.
What is the SMILES notation for [6-(sulfanylmethylsulfanyl)-4H-1,3-dithiin-4-yl]sulfanylmethanethiol?
The canonical SMILES for [6-(sulfanylmethylsulfanyl)-4H-1,3-dithiin-4-yl]sulfanylmethanethiol is SCSC1=CC(SCS)SCS1.
What is the InChIKey of [6-(sulfanylmethylsulfanyl)-4H-1,3-dithiin-4-yl]sulfanylmethanethiol?
The InChIKey is DCFPDIYNPXLEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10S6/c7-2-9-5-1-6(10-3-8)12-4-11-5/h1,5,7-8H,2-4H2.
What are the key properties of [6-(sulfanylmethylsulfanyl)-4H-1,3-dithiin-4-yl]sulfanylmethanethiol?
[6-(sulfanylmethylsulfanyl)-4H-1,3-dithiin-4-yl]sulfanylmethanethiol has a molecular weight of 274.55 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(sulfanylmethylsulfanyl)-4H-1,3-dithiin-4-yl]sulfanylmethanethiol is sourced from PubChem (CID 172702110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).