2-(thiiran-2-ylsulfanylmethylsulfanyl)thiirane

C5H8S4 — CID 87238552

IUPAC2-(thiiran-2-ylsulfanylmethylsulfanyl)thiirane
SMILESC(SC1CS1)SC1CS1
InChIInChI=1S/C5H8S4/c1-4(6-1)8-3-9-5-2-7-5/h4-5H,1-3H2
InChIKeyUIBIPMCCODMVTP-UHFFFAOYSA-N
MW196.39 g/mol
LogP2.56
Rot. Bonds4

About 2-(thiiran-2-ylsulfanylmethylsulfanyl)thiirane

2-(thiiran-2-ylsulfanylmethylsulfanyl)thiirane (PubChem CID 87238552) has the molecular formula C5H8S4 and a molecular weight of 196.39 g/mol. Its IUPAC name is 2-(thiiran-2-ylsulfanylmethylsulfanyl)thiirane.

Molecular Properties

Compound Name2-(thiiran-2-ylsulfanylmethylsulfanyl)thiirane
PubChem CID87238552
Molecular FormulaC5H8S4
Molecular Weight196.39 g/mol
Exact Mass195.95
IUPAC Name2-(thiiran-2-ylsulfanylmethylsulfanyl)thiirane
SMILESC(SC1CS1)SC1CS1
InChIInChI=1S/C5H8S4/c1-4(6-1)8-3-9-5-2-7-5/h4-5H,1-3H2
InChIKeyUIBIPMCCODMVTP-UHFFFAOYSA-N
XLogP2.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.39
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(thiiran-2-ylsulfanylmethylsulfanyl)thiirane?
The IUPAC name of 2-(thiiran-2-ylsulfanylmethylsulfanyl)thiirane (CID 87238552) is 2-(thiiran-2-ylsulfanylmethylsulfanyl)thiirane.
What is the SMILES notation for 2-(thiiran-2-ylsulfanylmethylsulfanyl)thiirane?
The canonical SMILES for 2-(thiiran-2-ylsulfanylmethylsulfanyl)thiirane is C(SC1CS1)SC1CS1.
What is the InChIKey of 2-(thiiran-2-ylsulfanylmethylsulfanyl)thiirane?
The InChIKey is UIBIPMCCODMVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8S4/c1-4(6-1)8-3-9-5-2-7-5/h4-5H,1-3H2.
What are the key properties of 2-(thiiran-2-ylsulfanylmethylsulfanyl)thiirane?
2-(thiiran-2-ylsulfanylmethylsulfanyl)thiirane has a molecular weight of 196.39 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiiran-2-ylsulfanylmethylsulfanyl)thiirane is sourced from PubChem (CID 87238552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).