trithiane-4,5-dithiol

C3H6S5 — CID 87111595

IUPACtrithiane-4,5-dithiol
SMILESSC1CSSSC1S
InChIInChI=1S/C3H6S5/c4-2-1-6-8-7-3(2)5/h2-5H,1H2
InChIKeyFNOSJQHSJZQIDY-UHFFFAOYSA-N
MW202.42 g/mol
LogP2.58
Rot. Bonds

About trithiane-4,5-dithiol

trithiane-4,5-dithiol (PubChem CID 87111595) has the molecular formula C3H6S5 and a molecular weight of 202.42 g/mol. Its IUPAC name is trithiane-4,5-dithiol.

Molecular Properties

Compound Nametrithiane-4,5-dithiol
PubChem CID87111595
Molecular FormulaC3H6S5
Molecular Weight202.42 g/mol
Exact Mass201.91
IUPAC Nametrithiane-4,5-dithiol
SMILESSC1CSSSC1S
InChIInChI=1S/C3H6S5/c4-2-1-6-8-7-3(2)5/h2-5H,1H2
InChIKeyFNOSJQHSJZQIDY-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': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1,2,3-Trithiane
CID 123186
Tetrathiane
CID 593529
5-Methyl-1,2,3,4-tetrathiane
CID 5319787
2-Sulfanyl-2-sulfanylidene-1,3,2lambda5-dithiaphosphinane
CID 13810810
Dithiane-4,5-dithiol
CID 22257455
2-Sulfanylidene-2-sulfido-1,3,2lambda5-dithiaphosphinane
CID 23418005
(4S,5S)-dithiane-4,5-dithiol
CID 87243297
(4R,5R)-dithiane-4,5-dithiol
CID 87243298
Dithiane-3,3-dithiol
CID 87812862
2-Sulfanylidenetrithiane 2-oxide
CID 89703490
1-Sulfanyldithian-1-ium-4-thiol
CID 172780714
Dithiane-3,4-dithiol
CID 175027294

Frequently Asked Questions

What is the IUPAC name of trithiane-4,5-dithiol?
The IUPAC name of trithiane-4,5-dithiol (CID 87111595) is trithiane-4,5-dithiol.
What is the SMILES notation for trithiane-4,5-dithiol?
The canonical SMILES for trithiane-4,5-dithiol is SC1CSSSC1S.
What is the InChIKey of trithiane-4,5-dithiol?
The InChIKey is FNOSJQHSJZQIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6S5/c4-2-1-6-8-7-3(2)5/h2-5H,1H2.
What are the key properties of trithiane-4,5-dithiol?
trithiane-4,5-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 trithiane-4,5-dithiol is sourced from PubChem (CID 87111595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).