2-(thiiran-2-ylmethylsulfanylmethyl)thiirane

C6H10S3 — CID 10976066

IUPAC2-(thiiran-2-ylmethylsulfanylmethyl)thiirane
SMILESC(SCC1CS1)C1CS1
InChIInChI=1S/C6H10S3/c1(5-3-8-5)7-2-6-4-9-6/h5-6H,1-4H2
InChIKeyMLGITEWCALEOOJ-UHFFFAOYSA-N
MW178.35 g/mol
LogP1.95
Rot. Bonds4

About 2-(thiiran-2-ylmethylsulfanylmethyl)thiirane

2-(thiiran-2-ylmethylsulfanylmethyl)thiirane (PubChem CID 10976066) has the molecular formula C6H10S3 and a molecular weight of 178.35 g/mol. Its IUPAC name is 2-(thiiran-2-ylmethylsulfanylmethyl)thiirane.

Molecular Properties

Compound Name2-(thiiran-2-ylmethylsulfanylmethyl)thiirane
PubChem CID10976066
Molecular FormulaC6H10S3
Molecular Weight178.35 g/mol
Exact Mass177.99
IUPAC Name2-(thiiran-2-ylmethylsulfanylmethyl)thiirane
SMILESC(SCC1CS1)C1CS1
InChIInChI=1S/C6H10S3/c1(5-3-8-5)7-2-6-4-9-6/h5-6H,1-4H2
InChIKeyMLGITEWCALEOOJ-UHFFFAOYSA-N
XLogP1.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.35
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(thiiran-2-ylmethylsulfanylmethyl)thiirane?
The IUPAC name of 2-(thiiran-2-ylmethylsulfanylmethyl)thiirane (CID 10976066) is 2-(thiiran-2-ylmethylsulfanylmethyl)thiirane.
What is the SMILES notation for 2-(thiiran-2-ylmethylsulfanylmethyl)thiirane?
The canonical SMILES for 2-(thiiran-2-ylmethylsulfanylmethyl)thiirane is C(SCC1CS1)C1CS1.
What is the InChIKey of 2-(thiiran-2-ylmethylsulfanylmethyl)thiirane?
The InChIKey is MLGITEWCALEOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10S3/c1(5-3-8-5)7-2-6-4-9-6/h5-6H,1-4H2.
What are the key properties of 2-(thiiran-2-ylmethylsulfanylmethyl)thiirane?
2-(thiiran-2-ylmethylsulfanylmethyl)thiirane has a molecular weight of 178.35 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiiran-2-ylmethylsulfanylmethyl)thiirane is sourced from PubChem (CID 10976066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).