2-[(thiiran-2-ylmethyltrisulfanyl)methyl]thiirane

C6H10S5 — CID 87221702

IUPAC2-[(thiiran-2-ylmethyltrisulfanyl)methyl]thiirane
SMILESC(SSSCC1CS1)C1CS1
InChIInChI=1S/C6H10S5/c1-5(7-1)3-9-11-10-4-6-2-8-6/h5-6H,1-4H2
InChIKeyJKMBDNIRUMYFCH-UHFFFAOYSA-N
MW242.48 g/mol
LogP3.25
Rot. Bonds6

About 2-[(thiiran-2-ylmethyltrisulfanyl)methyl]thiirane

2-[(thiiran-2-ylmethyltrisulfanyl)methyl]thiirane (PubChem CID 87221702) has the molecular formula C6H10S5 and a molecular weight of 242.48 g/mol. Its IUPAC name is 2-[(thiiran-2-ylmethyltrisulfanyl)methyl]thiirane.

Molecular Properties

Compound Name2-[(thiiran-2-ylmethyltrisulfanyl)methyl]thiirane
PubChem CID87221702
Molecular FormulaC6H10S5
Molecular Weight242.48 g/mol
Exact Mass241.94
IUPAC Name2-[(thiiran-2-ylmethyltrisulfanyl)methyl]thiirane
SMILESC(SSSCC1CS1)C1CS1
InChIInChI=1S/C6H10S5/c1-5(7-1)3-9-11-10-4-6-2-8-6/h5-6H,1-4H2
InChIKeyJKMBDNIRUMYFCH-UHFFFAOYSA-N
XLogP3.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.48
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,2'-(Disulfanediylbis(methylene))bis(thiirane)
CID 57402
1,1'-Thiobis(2,3-epithiopropane)
CID 10976066
2-Methylthiirane;thiirane
CID 22367971
Thiirane, 2,2'-[1,2-ethanediylbis(thiomethylene)]bis-
CID 11218644
2-Methyl-3-[(3-methylthiiran-2-yl)disulfanyl]thiirane
CID 17799443
2-[[2-(Thiiran-2-ylmethyldisulfanyl)ethyldisulfanyl]methyl]thiirane
CID 18541670
2,2'-[Selanylbis(methylene)]bis(thiirane)
CID 18760598
2-(Thiiran-2-ylmethylselanylmethylselanylmethyl)thiirane
CID 18760616
2-[(Thiiran-2-ylmethyldiselanyl)methyl]thiirane
CID 18760637
2-(Thiiran-2-ylmethylsulfanylmethylsulfanylmethyl)thiirane
CID 21900599
2-(Thiiran-2-ylmethyl)thiirane
CID 21987805
2-[[1-(Thiiran-2-ylmethyldisulfanyl)ethyldisulfanyl]methyl]thiirane
CID 22388724

Frequently Asked Questions

What is the IUPAC name of 2-[(thiiran-2-ylmethyltrisulfanyl)methyl]thiirane?
The IUPAC name of 2-[(thiiran-2-ylmethyltrisulfanyl)methyl]thiirane (CID 87221702) is 2-[(thiiran-2-ylmethyltrisulfanyl)methyl]thiirane.
What is the SMILES notation for 2-[(thiiran-2-ylmethyltrisulfanyl)methyl]thiirane?
The canonical SMILES for 2-[(thiiran-2-ylmethyltrisulfanyl)methyl]thiirane is C(SSSCC1CS1)C1CS1.
What is the InChIKey of 2-[(thiiran-2-ylmethyltrisulfanyl)methyl]thiirane?
The InChIKey is JKMBDNIRUMYFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10S5/c1-5(7-1)3-9-11-10-4-6-2-8-6/h5-6H,1-4H2.
What are the key properties of 2-[(thiiran-2-ylmethyltrisulfanyl)methyl]thiirane?
2-[(thiiran-2-ylmethyltrisulfanyl)methyl]thiirane has a molecular weight of 242.48 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(thiiran-2-ylmethyltrisulfanyl)methyl]thiirane is sourced from PubChem (CID 87221702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).